#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 3.20 0.02 1.61 -0.00 -1.26 -5.06 118.94 117.45 1c20 s TRP 4 Ca 0.00 0.06 0.02 0.00 -0.00 0.00 0.00 56.10 56.18 1c20 s TRP 4 Cb 0.00 -2.74 -0.04 0.00 -0.00 0.00 0.00 33.47 30.70 1c20 s TRP 4 CO 0.00 -0.45 0.01 -1.54 -0.00 0.00 0.00 176.95 174.97 1c20 s SER 5 N 1.73 5.16 0.44 5.86 1.04 -1.26 -4.99 113.70 121.68 1c20 s SER 5 Ca 0.14 -0.02 0.14 0.00 0.48 0.00 0.00 55.95 56.68 1c20 s SER 5 Cb -0.16 -1.34 0.99 0.00 0.10 0.00 0.00 66.02 65.61 1c20 s SER 5 CO 0.12 0.26 1.99 2.19 0.98 0.00 0.00 173.24 178.78 1c20 h PHE 6 N 4.14 0.02 -0.41 5.02 -0.00 -2.01 -1.22 116.94 122.48 1c20 h PHE 6 Ca -0.49 -0.00 -0.03 0.00 -0.00 0.00 0.00 57.97 57.45 1c20 h PHE 6 Cb 1.17 -0.01 -0.02 0.00 -0.00 0.00 0.00 35.95 37.10 1c20 h PHE 6 CO 0.61 0.19 0.12 0.93 -0.00 0.00 0.00 178.31 180.16 1c20 h GLU 7 N 0.02 0.60 -0.95 6.09 5.08 -2.00 -1.59 114.58 121.83 1c20 h GLU 7 Ca 0.00 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1c20 h GLU 7 Cb 0.32 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.42 1c20 h GLU 7 CO 0.02 0.54 0.57 1.49 -1.00 0.00 0.00 179.01 180.63 1c20 h GLU 8 N 0.59 1.29 0.00 2.33 4.81 -1.62 0.32 114.58 122.29 1c20 h GLU 8 Ca 0.14 -0.12 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1c20 h GLU 8 Cb 0.20 -0.27 -0.00 0.00 0.63 0.00 0.00 28.75 29.31 1c20 h GLU 8 CO -0.01 0.90 -0.01 0.37 -0.73 0.00 0.00 179.01 179.54 1c20 h GLN 9 N 1.31 0.00 0.36 1.92 5.75 -1.25 -2.80 115.11 120.39 1c20 h GLN 9 Ca 0.34 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.82 1c20 h GLN 9 Cb -0.05 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.50 1c20 h GLN 9 CO -0.06 0.01 -0.17 0.35 -2.65 0.00 0.00 178.83 176.31 1c20 h PHE 10 N 0.00 -0.44 -0.94 3.99 3.04 -0.11 -3.14 116.94 119.34 1c20 h PHE 10 Ca -0.00 -0.01 0.03 0.00 3.98 0.00 0.00 57.97 61.97 1c20 h PHE 10 Cb 0.04 0.15 -0.05 0.00 2.56 0.00 0.00 35.95 38.64 1c20 h PHE 10 CO 0.00 -0.11 0.62 1.57 -2.02 0.00 0.00 178.31 178.37 1c20 h LYS 11 N -0.90 1.16 -0.53 1.11 2.10 -1.32 -1.01 116.57 117.19 1c20 h LYS 11 Ca -0.05 -0.07 0.01 0.00 -2.00 0.00 0.00 60.65 58.54 1c20 h LYS 11 Cb 0.53 -0.26 -0.03 0.00 -0.90 0.00 0.00 32.23 31.58 1c20 h LYS 11 CO 0.08 0.77 0.35 -0.56 -2.00 0.00 0.00 179.45 178.09 1c20 h GLN 12 N 1.20 0.70 -0.17 0.07 3.07 -1.61 0.36 115.11 118.72 1c20 h GLN 12 Ca 0.37 -0.04 0.00 0.00 0.09 0.00 0.00 58.65 59.07 1c20 h GLN 12 Cb -0.02 -0.16 -0.01 0.00 0.08 0.00 0.00 27.48 27.37 1c20 h GLN 12 CO -0.11 0.46 0.11 0.28 0.09 0.00 0.00 178.83 179.67 1c20 h VAL 13 N 0.72 1.05 -0.68 1.86 2.07 -1.13 -1.46 116.25 118.68 1c20 h VAL 13 Ca 0.19 -0.09 0.03 0.00 0.82 0.00 0.00 66.70 67.65 1c20 h VAL 13 Cb -0.08 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 30.44 1c20 h VAL 13 CO -0.04 0.05 0.43 -0.09 0.02 0.00 0.00 177.57 177.93 1c20 h ARG 14 N 0.23 0.82 0.00 1.57 2.43 -0.09 -0.29 114.38 119.05 1c20 h ARG 14 Ca 0.06 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 1c20 h ARG 14 Cb -0.02 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.34 1c20 h ARG 14 CO -0.01 0.54 -0.07 -0.56 -1.51 0.00 0.00 179.97 178.35 1c20 h GLN 15 N 0.84 0.00 -0.24 0.20 3.07 -1.17 -2.19 115.11 115.63 1c20 h GLN 15 Ca 0.27 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.98 1c20 h GLN 15 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.55 1c20 h GLN 15 CO -0.10 0.07 0.03 -0.07 0.09 0.00 0.00 178.83 178.86 1c20 h LEU 16 N 0.00 0.39 -1.01 0.06 4.07 -0.95 -2.54 115.31 115.32 1c20 h LEU 16 Ca -0.00 -0.27 0.01 0.00 0.08 0.00 0.00 57.88 57.70 1c20 h LEU 16 Cb 0.24 -0.10 -0.05 0.00 1.08 0.00 0.00 40.66 41.83 1c20 h LEU 16 CO 0.01 0.56 0.67 1.88 -1.08 0.00 0.00 178.44 180.47 1c20 h TYR 17 N 0.20 1.27 0.00 1.13 0.05 -1.26 -1.08 116.97 117.27 1c20 h TYR 17 Ca 0.07 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.88 1c20 h TYR 17 Cb 0.34 -0.43 0.00 0.00 1.01 0.00 0.00 36.73 37.65 1c20 h TYR 17 CO 0.02 0.80 0.00 0.39 -1.05 0.00 0.00 178.16 178.32 1c20 n GLU 18 N -4.38 0.17 -0.32 4.88 -0.58 -0.93 -3.18 120.64 116.30 1c20 n GLU 18 Ca 0.12 0.17 0.10 0.00 -0.42 0.00 0.00 57.16 57.12 1c20 n GLU 18 Cb 0.01 -1.50 0.31 0.00 -0.57 0.00 0.00 31.44 29.69 1c20 n GLU 18 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 1c20 h ILE 19 N 0.00 0.87 -2.11 -3.67 2.04 -0.91 -3.45 117.51 110.27 1c20 h ILE 19 Ca 0.00 -0.29 0.23 0.00 1.00 0.00 0.00 64.86 65.80 1c20 h ILE 19 Cb 0.09 -0.04 -0.08 0.00 -0.74 0.00 0.00 36.82 36.05 1c20 h ILE 19 CO 0.00 0.15 0.63 0.21 0.00 0.00 0.00 178.15 179.15 1c20 s ASN 20 N -5.72 -0.09 -0.10 1.72 3.04 -1.19 -5.00 114.94 107.60 1c20 s ASN 20 Ca -0.11 -0.38 0.11 0.00 0.04 0.00 0.00 52.86 52.52 1c20 s ASN 20 Cb 0.22 0.37 0.48 0.00 -1.54 0.00 0.00 41.25 40.79 1c20 s ASN 20 CO 0.80 -0.71 1.31 -0.67 -3.04 0.00 0.00 177.10 174.79 1c20 n ASP 21 N -0.69 3.47 -4.58 -4.21 -0.08 -1.26 -4.92 116.55 104.28 1c20 n ASP 21 Ca -0.05 -2.38 -0.47 0.00 -1.51 0.00 0.00 54.79 50.37 1c20 n ASP 21 Cb 0.61 -0.51 -0.05 0.00 2.34 0.00 0.00 41.12 43.51 1c20 n ASP 21 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1c20 n ASP 22 N 0.56 3.01 -0.00 1.67 -0.08 -1.26 -4.82 116.55 115.62 1c20 n ASP 22 Ca 0.17 0.56 0.02 0.00 -1.51 0.00 0.00 54.79 54.03 1c20 n ASP 22 Cb 0.69 -1.40 0.36 0.00 2.34 0.00 0.00 41.12 43.11 1c20 n ASP 22 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1c20 h PRO 23 N 12.04 0.53 -0.16 -0.67 0.14 -1.99 -2.72 132.00 139.16 1c20 h PRO 23 Ca -0.40 -0.07 0.00 0.00 0.14 0.00 0.00 66.00 65.67 1c20 h PRO 23 Cb 1.28 -0.10 -0.01 0.00 0.14 0.00 0.00 31.00 32.31 1c20 h PRO 23 CO 0.97 0.45 0.10 -0.22 0.14 0.00 0.00 178.00 179.45 1c20 h LYS 24 N 0.53 0.21 -0.40 0.86 3.64 -1.98 0.29 116.57 119.71 1c20 h LYS 24 Ca 0.13 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1c20 h LYS 24 Cb 0.13 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 1c20 h LYS 24 CO -0.01 0.14 0.26 -0.09 -2.27 0.00 0.00 179.45 177.49 1c20 h ARG 25 N 0.21 0.53 -0.29 1.90 2.43 -1.90 0.20 114.38 117.47 1c20 h ARG 25 Ca 0.06 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1c20 h ARG 25 Cb -0.02 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.40 1c20 h ARG 25 CO -0.01 0.35 0.19 -0.22 -1.51 0.00 0.00 179.97 178.77 1c20 h LYS 26 N 0.54 0.38 -0.98 0.20 3.64 -1.16 -0.33 116.57 118.86 1c20 h LYS 26 Ca 0.15 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1c20 h LYS 26 Cb -0.06 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 31.63 1c20 h LYS 26 CO -0.03 0.25 0.62 0.93 -2.27 0.00 0.00 179.45 178.95 1c20 h GLU 27 N 0.39 1.31 0.13 1.90 5.08 0.05 -2.63 114.58 120.80 1c20 h GLU 27 Ca 0.11 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1c20 h GLU 27 Cb -0.04 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 28.92 1c20 h GLU 27 CO -0.02 0.89 -0.06 0.35 -1.00 0.00 0.00 179.01 179.16 1c20 h PHE 28 N 1.34 -0.16 0.26 4.33 3.04 0.13 -1.97 116.94 123.92 1c20 h PHE 28 Ca 0.36 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.29 1c20 h PHE 28 Cb -0.11 0.05 0.00 0.00 2.56 0.00 0.00 35.95 38.45 1c20 h PHE 28 CO 0.00 0.12 -0.12 -0.07 -2.02 0.00 0.00 178.31 176.22 1c20 h LEU 29 N -0.44 -0.29 -1.52 0.59 3.38 -0.96 0.54 115.31 116.62 1c20 h LEU 29 Ca -0.02 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.99 1c20 h LEU 29 Cb 0.35 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 1c20 h LEU 29 CO 0.03 -0.20 0.36 -2.24 0.09 0.00 0.00 178.44 176.48 1c20 h ASP 30 N -0.35 0.54 0.19 -0.43 2.03 -1.55 0.49 116.42 117.33 1c20 h ASP 30 Ca -0.04 -0.01 -0.01 0.00 -0.73 0.00 0.00 57.03 56.25 1c20 h ASP 30 Cb 0.27 -0.13 0.00 0.00 -0.83 0.00 0.00 39.33 38.65 1c20 h ASP 30 CO 0.06 0.37 -0.09 -0.78 -1.03 0.00 0.00 179.24 177.77 1c20 h ASP 31 N 0.63 -0.21 -0.00 4.15 1.82 -0.64 0.04 116.42 122.20 1c20 h ASP 31 Ca 0.22 -0.29 0.00 0.00 -0.39 0.00 0.00 57.03 56.56 1c20 h ASP 31 Cb 0.09 0.05 -0.00 0.00 0.68 0.00 0.00 39.33 40.16 1c20 h ASP 31 CO -0.06 0.23 0.00 0.25 -1.61 0.00 0.00 179.24 178.05 1c20 h LEU 32 N -0.71 0.01 -0.84 2.28 5.85 0.57 -1.50 115.31 120.97 1c20 h LEU 32 Ca -0.03 -0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.73 1c20 h LEU 32 Cb 0.49 -0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.47 1c20 h LEU 32 CO 0.04 0.01 0.54 -0.26 -0.34 0.00 0.00 178.44 178.43 1c20 h PHE 33 N 0.01 1.01 -0.61 1.25 0.04 -0.07 -2.04 116.94 116.53 1c20 h PHE 33 Ca 0.00 0.03 0.01 0.00 2.80 0.00 0.00 57.97 60.80 1c20 h PHE 33 Cb 0.00 -0.33 -0.03 0.00 2.20 0.00 0.00 35.95 37.79 1c20 h PHE 33 CO -0.08 0.58 0.40 0.66 -0.60 0.00 0.00 178.31 179.27 1c20 h SER 34 N 1.04 0.70 0.82 2.17 4.64 -0.53 0.82 113.55 123.22 1c20 h SER 34 Ca 0.34 -0.02 -0.04 0.00 -0.47 0.00 0.00 61.79 61.60 1c20 h SER 34 Cb 0.02 -0.18 0.01 0.00 -0.31 0.00 0.00 62.40 61.94 1c20 h SER 34 CO -0.12 0.51 -0.40 0.15 -0.87 0.00 0.00 176.83 176.10 1c20 h PHE 35 N 0.83 -1.05 0.00 4.77 3.57 -0.60 -3.04 116.94 121.43 1c20 h PHE 35 Ca 0.22 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.68 1c20 h PHE 35 Cb -0.09 0.35 -0.00 0.00 2.79 0.00 0.00 35.95 38.99 1c20 h PHE 35 CO -0.03 -0.65 -0.10 0.00 -2.23 0.00 0.00 178.31 175.30 1c20 h MET 36 N -1.12 0.00 0.00 1.11 -0.00 -1.39 -3.19 114.93 110.35 1c20 h MET 36 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.59 1c20 h MET 36 Cb 0.86 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.46 1c20 h MET 36 CO 0.18 0.10 0.24 0.94 -0.00 0.00 0.00 176.91 178.38 1c20 n GLN 37 N -3.23 0.00 -0.34 -0.10 7.27 0.28 -2.13 117.38 119.14 1c20 n GLN 37 Ca 0.01 0.18 0.21 0.00 0.07 0.00 0.00 57.00 57.46 1c20 n GLN 37 Cb 0.38 -1.74 0.43 0.00 2.41 0.00 0.00 30.24 31.71 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 0.45 -0.45 3.69 3.64 -1.71 1.40 116.57 123.58 1c20 h LYS 38 Ca 0.00 -0.03 -0.14 0.00 -1.27 0.00 0.00 60.65 59.22 1c20 h LYS 38 Cb 0.49 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 1c20 h LYS 38 CO 0.00 0.30 -0.25 0.00 -2.27 0.00 0.00 179.45 177.23 1c20 h ARG 39 N 0.46 0.95 0.00 1.90 2.47 -1.77 -3.47 114.38 114.93 1c20 h ARG 39 Ca 0.68 -0.42 0.00 0.00 -1.26 0.00 0.00 59.98 58.98 1c20 h ARG 39 Cb 1.44 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 29.74 1c20 h ARG 39 CO -0.52 1.08 0.00 0.41 0.56 0.00 0.00 179.97 181.51 1c20 n GLY 40 N -0.09 1.64 3.62 0.04 0.00 0.48 -5.11 105.19 105.78 1c20 n GLY 40 Ca -0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.07 3.40 0.00 2.61 -4.23 -1.26 -5.02 115.64 109.07 1c20 s THR 41 Ca 0.00 -1.74 0.00 0.00 -1.18 0.00 0.00 61.69 58.77 1c20 s THR 41 Cb 0.00 -2.75 0.00 0.00 1.34 0.00 0.00 72.50 71.09 1c20 s THR 41 CO 0.00 -0.24 0.00 -0.81 -0.54 0.00 0.00 174.62 173.03 1c20 n PRO 42 N -0.43 0.65 0.00 3.99 -0.04 -1.26 -4.66 135.00 133.26 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 -1.58 0.00 0.00 0.52 0.13 -1.26 -4.97 119.36 112.19 1c20 n ILE 43 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.65 1c20 n ILE 43 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 38.80 1c20 n ILE 43 CO 0.00 0.00 0.00 -3.20 2.80 0.00 0.00 176.55 176.15 1c20 n ASN 44 N 0.00 0.00 -3.88 9.51 5.15 -1.26 -5.04 115.26 119.74 1c20 n ASN 44 Ca 0.00 0.00 -0.11 0.00 -0.60 0.00 0.00 54.58 53.87 1c20 n ASN 44 Cb 0.00 0.00 -0.12 0.00 -0.53 0.00 0.00 39.78 39.13 1c20 n ASN 44 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1c20 s ARG 45 N 0.00 0.28 -0.35 1.20 0.52 -1.26 -5.07 118.95 114.26 1c20 s ARG 45 Ca 0.00 -0.18 0.01 0.00 -0.52 0.00 0.00 55.73 55.04 1c20 s ARG 45 Cb 0.00 0.11 0.11 0.00 0.52 0.00 0.00 34.95 35.69 1c20 s ARG 45 CO 0.00 -0.05 0.12 -0.51 0.02 0.00 0.00 175.30 174.87 1c20 s LEU 46 N -0.72 3.19 0.78 2.53 1.02 -1.26 -5.12 118.68 119.10 1c20 s LEU 46 Ca -0.08 -2.05 -0.13 0.00 0.02 0.00 0.00 54.13 51.89 1c20 s LEU 46 Cb -0.05 -1.17 0.07 0.00 0.02 0.00 0.00 46.19 45.07 1c20 s LEU 46 CO 0.00 -0.37 1.18 -2.84 0.02 0.00 0.00 176.35 174.34 1c20 s PRO 47 N 1.06 1.85 -0.17 1.29 0.02 -1.26 -4.89 135.00 132.90 1c20 s PRO 47 Ca 0.12 1.63 -0.05 0.00 0.02 0.00 0.00 61.00 62.72 1c20 s PRO 47 Cb -0.20 -1.81 -0.03 0.00 0.02 0.00 0.00 34.50 32.48 1c20 s PRO 47 CO -0.14 -2.03 0.01 0.42 -0.33 0.00 0.00 177.00 174.93 1c20 s ILE 48 N -2.27 4.25 -0.76 2.83 -1.09 -1.26 -3.10 121.20 119.80 1c20 s ILE 48 Ca 0.71 -0.22 -0.20 0.00 -2.23 0.00 0.00 60.65 58.70 1c20 s ILE 48 Cb -0.26 -2.90 0.11 0.00 -1.58 0.00 0.00 42.46 37.83 1c20 s ILE 48 CO 0.50 0.47 0.97 -0.04 -1.23 0.00 0.00 174.94 175.61 1c20 s MET 49 N 0.50 3.32 0.29 2.79 -1.94 0.52 -4.89 119.30 119.88 1c20 s MET 49 Ca -0.00 -1.37 0.00 0.00 -1.71 0.00 0.00 55.69 52.60 1c20 s MET 49 Cb -0.14 -4.53 0.00 0.00 2.01 0.00 0.00 34.83 32.18 1c20 s MET 49 CO 0.02 -1.73 0.00 0.00 -0.01 0.00 0.00 175.02 173.30 1c20 n ALA 50 N 6.82 0.00 -0.03 3.03 0.00 -1.26 0.23 120.51 129.30 1c20 n ALA 50 Ca 0.07 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.54 1c20 n ALA 50 Cb 0.46 0.00 -0.12 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 0.87 -3.02 0.00 4.81 -1.26 -4.98 118.16 114.57 1c20 n LYS 51 Ca 0.00 -0.10 -0.21 0.00 -0.87 0.00 0.00 58.31 57.13 1c20 n LYS 51 Cb 0.00 -1.38 0.01 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 -4.16 5.72 -0.01 3.14 0.01 0.61 -5.11 113.70 113.89 1c20 s SER 52 Ca -0.06 0.03 0.03 0.00 1.31 0.00 0.00 55.95 57.26 1c20 s SER 52 Cb 0.08 -1.22 -0.01 0.00 0.21 0.00 0.00 66.02 65.09 1c20 s SER 52 CO 0.64 -0.75 -0.10 0.54 0.41 0.00 0.00 173.24 173.98 1c20 s VAL 53 N -2.49 0.79 -0.48 3.43 0.11 -1.26 0.19 120.40 120.69 1c20 s VAL 53 Ca 0.50 -0.42 -0.27 0.00 -2.93 0.00 0.00 61.98 58.86 1c20 s VAL 53 Cb -0.10 -0.67 -0.03 0.00 -1.53 0.00 0.00 36.38 34.06 1c20 s VAL 53 CO 0.36 0.23 1.90 -0.22 -3.33 0.00 0.00 175.10 174.03 1c20 s LEU 54 N -0.18 3.39 -0.16 2.54 2.96 -1.18 -4.86 118.68 121.19 1c20 s LEU 54 Ca 0.03 0.83 -0.29 0.00 -0.22 0.00 0.00 54.13 54.47 1c20 s LEU 54 Cb -0.05 -2.94 -0.03 0.00 0.50 0.00 0.00 46.19 43.68 1c20 s LEU 54 CO -0.00 -2.15 1.49 -0.62 -1.32 0.00 0.00 176.35 173.74 1c20 s ASP 55 N 7.70 6.67 0.52 3.68 -1.08 -1.26 -4.85 116.67 128.06 1c20 s ASP 55 Ca 0.76 1.79 0.18 0.00 -0.52 0.00 0.00 52.55 54.76 1c20 s ASP 55 Cb -0.17 -2.53 1.31 0.00 -1.46 0.00 0.00 42.92 40.06 1c20 s ASP 55 CO 0.27 -0.98 2.14 0.17 0.52 0.00 0.00 175.17 177.28 1c20 h LEU 56 N 10.55 0.00 -1.01 -1.34 8.10 -2.00 -1.39 115.31 128.23 1c20 h LEU 56 Ca -0.32 0.00 0.01 0.00 0.11 0.00 0.00 57.88 57.68 1c20 h LEU 56 Cb 1.14 0.00 -0.05 0.00 -0.44 0.00 0.00 40.66 41.31 1c20 h LEU 56 CO 0.98 0.00 0.67 0.22 -4.11 0.00 0.00 178.44 176.20 1c20 h TYR 57 N 0.00 1.27 -0.93 0.17 5.03 -2.01 -2.47 116.97 118.04 1c20 h TYR 57 Ca 0.03 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.36 1c20 h TYR 57 Cb 0.11 -0.43 -0.04 0.00 1.55 0.00 0.00 36.73 37.92 1c20 h TYR 57 CO 0.00 0.80 0.53 1.49 -1.32 0.00 0.00 178.16 179.66 1c20 h GLU 58 N 1.37 1.27 -0.22 1.82 4.81 -1.64 -1.69 114.58 120.30 1c20 h GLU 58 Ca 0.37 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.47 1c20 h GLU 58 Cb -0.16 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 28.95 1c20 h GLU 58 CO -0.08 0.91 0.15 1.25 -0.73 0.00 0.00 179.01 180.50 1c20 h LEU 59 N 1.29 0.26 -0.52 1.64 5.85 -1.48 -2.65 115.31 119.69 1c20 h LEU 59 Ca 0.33 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 59.04 1c20 h LEU 59 Cb -0.02 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 1c20 h LEU 59 CO -0.06 0.19 0.34 0.22 -0.34 0.00 0.00 178.44 178.80 1c20 h TYR 60 N 0.30 0.65 -0.87 1.25 3.20 -1.29 -2.53 116.97 117.68 1c20 h TYR 60 Ca 0.08 0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.99 1c20 h TYR 60 Cb -0.03 -0.22 -0.05 0.00 1.54 0.00 0.00 36.73 37.97 1c20 h TYR 60 CO -0.06 0.41 0.57 -2.95 -1.64 0.00 0.00 178.16 174.49 1c20 h ASN 61 N 0.70 0.96 -0.70 -2.11 -1.07 -1.08 -2.22 115.58 110.06 1c20 h ASN 61 Ca 0.19 -0.01 -0.07 0.00 0.07 0.00 0.00 56.30 56.48 1c20 h ASN 61 Cb -0.08 -0.22 -0.03 0.00 -2.07 0.00 0.00 38.32 35.92 1c20 h ASN 61 CO -0.04 0.67 0.15 -0.07 0.07 0.00 0.00 177.43 178.21 1c20 h LEU 62 N 1.12 1.09 0.21 6.14 3.38 -1.22 -0.46 115.31 125.57 1c20 h LEU 62 Ca 0.34 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1c20 h LEU 62 Cb -0.04 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 40.43 1c20 h LEU 62 CO -0.10 1.05 -0.10 0.58 0.09 0.00 0.00 178.44 179.96 1c20 h VAL 63 N 1.08 0.84 -0.52 1.22 2.07 -1.00 -2.79 116.25 117.14 1c20 h VAL 63 Ca 0.22 -0.25 -0.12 0.00 0.82 0.00 0.00 66.70 67.37 1c20 h VAL 63 Cb 0.40 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 1c20 h VAL 63 CO 0.01 0.06 -0.15 0.40 0.02 0.00 0.00 177.57 177.90 1c20 h ILE 64 N -0.40 1.27 0.00 4.57 1.08 -1.41 -1.38 117.51 121.24 1c20 h ILE 64 Ca -0.03 -1.32 0.00 0.00 -0.39 0.00 0.00 64.86 63.12 1c20 h ILE 64 Cb 0.31 1.02 0.00 0.00 -3.07 0.00 0.00 36.82 35.08 1c20 h ILE 64 CO 0.05 0.46 0.19 0.00 -0.69 0.00 0.00 178.15 178.16 1c20 h ALA 65 N 0.91 1.19 0.01 1.87 0.00 -1.00 -1.31 119.26 120.93 1c20 h ALA 65 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.68 1c20 h ALA 65 Cb 0.73 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.46 1c20 h ALA 65 CO 0.06 -0.19 -2.24 0.54 0.00 0.00 0.00 179.25 177.41 1c20 n ARG 66 N -2.96 0.68 0.00 0.00 1.74 -0.89 -4.99 116.66 110.23 1c20 n ARG 66 Ca -0.02 0.11 0.00 0.00 -0.77 0.00 0.00 57.85 57.16 1c20 n ARG 66 Cb 0.25 -1.59 0.00 0.00 -1.02 0.00 0.00 32.46 30.10 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 1.84 0.39 0.00 -0.13 0.00 -0.49 -5.00 105.19 101.80 1c20 n GLY 67 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 4.31 0.05 -0.02 0.00 -0.57 -4.72 105.19 104.24 1c20 n GLY 68 Ca 0.00 -1.52 -0.12 0.00 0.00 0.00 0.00 46.02 44.38 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 -0.03 -1.09 0.99 5.85 -1.98 -0.12 115.31 118.93 1c20 h LEU 69 Ca 0.00 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 1c20 h LEU 69 Cb 0.00 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.01 1c20 h LEU 69 CO 0.00 -0.01 0.40 0.58 -0.34 0.00 0.00 178.44 179.07 1c20 h VAL 70 N -0.01 1.22 -0.96 1.05 2.07 -1.97 0.11 116.25 117.76 1c20 h VAL 70 Ca 0.01 -0.57 0.01 0.00 0.82 0.00 0.00 66.70 66.97 1c20 h VAL 70 Cb 0.02 0.22 -0.05 0.00 -1.52 0.00 0.00 31.29 29.97 1c20 h VAL 70 CO -0.02 0.25 0.63 0.44 0.02 0.00 0.00 177.57 178.90 1c20 h ASP 71 N 1.04 1.10 -0.27 0.57 3.32 -1.68 0.20 116.42 120.70 1c20 h ASP 71 Ca 0.26 -0.03 -0.12 0.00 0.02 0.00 0.00 57.03 57.17 1c20 h ASP 71 Cb 0.04 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.31 1c20 h ASP 71 CO -0.04 0.80 -0.29 0.58 -1.72 0.00 0.00 179.24 178.57 1c20 h VAL 72 N 1.30 1.31 0.23 -1.35 2.07 0.36 -2.25 116.25 117.91 1c20 h VAL 72 Ca 0.35 -1.46 -0.01 0.00 0.82 0.00 0.00 66.70 66.40 1c20 h VAL 72 Cb -0.15 1.63 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 1c20 h VAL 72 CO -0.08 0.46 -0.11 0.40 0.02 0.00 0.00 177.57 178.27 1c20 h ILE 73 N 0.40 0.83 -0.84 4.57 2.04 -0.21 0.13 117.51 124.44 1c20 h ILE 73 Ca 0.04 -0.68 0.00 0.00 1.00 0.00 0.00 64.86 65.22 1c20 h ILE 73 Cb 0.86 1.20 -0.04 0.00 -0.74 0.00 0.00 36.82 38.10 1c20 h ILE 73 CO 0.07 0.14 0.53 -0.55 0.00 0.00 0.00 178.15 178.34 1c20 h ASN 74 N -0.68 0.98 -0.39 1.72 -1.07 -0.73 -0.73 115.58 114.69 1c20 h ASN 74 Ca -0.03 -0.04 0.00 0.00 0.07 0.00 0.00 56.30 56.30 1c20 h ASN 74 Cb 0.47 -0.25 0.00 0.00 -2.07 0.00 0.00 38.32 36.48 1c20 h ASN 74 CO 0.05 0.74 0.00 0.29 0.07 0.00 0.00 177.43 178.58 1c20 n LYS 75 N -4.39 1.93 -4.18 4.14 5.02 -0.85 -4.73 118.16 115.11 1c20 n LYS 75 Ca 0.09 -1.44 -0.38 0.00 -2.02 0.00 0.00 58.31 54.56 1c20 n LYS 75 Cb 0.05 -1.32 -0.04 0.00 -0.02 0.00 0.00 35.03 33.70 1c20 n LYS 75 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1c20 n LYS 76 N 0.67 -0.58 -0.82 1.97 2.85 0.24 -4.80 118.16 117.69 1c20 n LYS 76 Ca 0.14 0.06 0.06 0.00 -1.05 0.00 0.00 58.31 57.52 1c20 n LYS 76 Cb 0.34 -2.90 0.37 0.00 -0.65 0.00 0.00 35.03 32.19 1c20 n LYS 76 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1c20 n LEU 77 N -4.72 5.30 0.29 -5.58 4.77 0.05 -4.45 117.00 112.66 1c20 n LEU 77 Ca -0.22 -2.69 0.18 0.00 -0.03 0.00 0.00 56.01 53.25 1c20 n LEU 77 Cb 0.61 -0.67 0.94 0.00 -2.33 0.00 0.00 43.42 41.97 1c20 n LEU 77 CO 0.77 0.59 1.07 -0.50 -1.33 0.00 0.00 177.39 178.00 1c20 h TRP 78 N 3.62 0.00 -0.74 -1.77 4.06 -1.87 -2.21 115.95 117.03 1c20 h TRP 78 Ca 0.00 0.00 0.01 0.00 2.06 0.00 0.00 58.89 60.96 1c20 h TRP 78 Cb 1.85 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 29.97 1c20 h TRP 78 CO 1.00 0.00 0.49 1.96 -3.56 0.00 0.00 178.44 178.33 1c20 h GLN 79 N 0.00 0.97 -0.64 0.49 7.50 -1.97 0.24 115.11 121.71 1c20 h GLN 79 Ca 0.00 -0.06 0.00 0.00 0.50 0.00 0.00 58.65 59.09 1c20 h GLN 79 Cb 0.18 -0.22 -0.03 0.00 0.05 0.00 0.00 27.48 27.46 1c20 h GLN 79 CO 0.00 0.65 0.40 1.49 -1.50 0.00 0.00 178.83 179.87 1c20 h GLU 80 N 1.00 0.85 -0.21 1.46 4.57 -1.77 0.27 114.58 120.75 1c20 h GLU 80 Ca 0.27 -0.06 -0.09 0.00 -1.18 0.00 0.00 59.36 58.29 1c20 h GLU 80 Cb -0.11 -0.19 -0.00 0.00 -0.16 0.00 0.00 28.75 28.29 1c20 h GLU 80 CO -0.06 0.58 -0.23 0.82 -1.18 0.00 0.00 179.01 178.94 1c20 h ILE 81 N 0.86 1.33 -0.66 2.32 2.04 -1.53 -2.59 117.51 119.29 1c20 h ILE 81 Ca 0.23 -1.41 -0.08 0.00 1.00 0.00 0.00 64.86 64.60 1c20 h ILE 81 Cb -0.06 1.75 -0.03 0.00 -0.74 0.00 0.00 36.82 37.74 1c20 h ILE 81 CO -0.05 0.43 0.09 0.40 0.00 0.00 0.00 178.15 179.03 1c20 h ILE 82 N 0.22 1.26 -0.66 -0.67 2.04 -0.30 -1.80 117.51 117.60 1c20 h ILE 82 Ca 0.03 -1.05 0.01 0.00 1.00 0.00 0.00 64.86 64.85 1c20 h ILE 82 Cb 0.79 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 37.51 1c20 h ILE 82 CO 0.06 0.39 0.44 0.11 0.00 0.00 0.00 178.15 179.15 1c20 h LYS 83 N 1.01 0.86 -0.97 2.37 1.57 -0.44 -0.95 116.57 120.03 1c20 h LYS 83 Ca 0.20 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1c20 h LYS 83 Cb 0.46 -0.19 -0.05 0.00 0.08 0.00 0.00 32.23 32.52 1c20 h LYS 83 CO 0.02 0.57 0.60 0.78 -0.57 0.00 0.00 179.45 180.85 1c20 h GLY 84 N 0.89 1.39 -5.79 3.86 0.00 -1.18 -2.48 103.07 99.76 1c20 h GLY 84 Ca 0.24 -0.57 -0.79 0.00 0.00 0.00 0.00 47.33 46.22 1c20 h GLY 84 CO -0.05 0.55 1.10 1.04 0.00 0.00 0.00 176.54 179.17 1c20 n LEU 85 N -4.36 7.43 -4.25 3.11 4.32 -0.43 -5.03 117.00 117.79 1c20 n LEU 85 Ca 0.11 -5.16 -0.39 0.00 -0.02 0.00 0.00 56.01 50.55 1c20 n LEU 85 Cb 0.05 -1.15 0.01 0.00 -1.62 0.00 0.00 43.42 40.71 1c20 n LEU 85 CO 0.38 1.95 -0.64 1.41 -1.22 0.00 0.00 177.39 179.27 1c20 n HIS 86 N -0.10 -2.88 -2.36 -1.77 8.25 -0.75 -4.84 115.22 110.78 1c20 n HIS 86 Ca 0.50 0.46 -0.42 0.00 -0.26 0.00 0.00 57.72 58.00 1c20 n HIS 86 Cb 0.26 -1.69 -0.03 0.00 1.12 0.00 0.00 29.99 29.65 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 5.00 4.39 0.01 2.41 1.02 -1.26 -4.97 118.68 125.27 1c20 s LEU 87 Ca 0.57 2.13 -0.07 0.00 0.02 0.00 0.00 54.13 56.78 1c20 s LEU 87 Cb -0.50 -3.59 -0.04 0.00 0.02 0.00 0.00 46.19 42.08 1c20 s LEU 87 CO 0.66 -0.49 1.11 1.55 0.02 0.00 0.00 176.35 179.20 1c20 h PRO 88 N 6.45 -0.25 0.00 1.29 0.13 -1.88 -3.46 132.00 134.27 1c20 h PRO 88 Ca -0.42 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1c20 h PRO 88 Cb 1.21 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1c20 h PRO 88 CO 0.81 -0.17 0.00 0.43 -0.23 0.00 0.00 178.00 178.84 1c20 n SER 89 N -2.75 0.00 0.00 1.44 7.64 -1.26 -5.00 113.62 113.70 1c20 n SER 89 Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.85 1c20 n SER 89 Cb 0.10 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.30 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 -4.14 6.43 7.64 -1.26 -5.08 113.62 117.20 1c20 n SER 90 Ca 0.00 -1.00 -0.33 0.00 1.01 0.00 0.00 58.87 58.55 1c20 n SER 90 Cb 0.00 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.04 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 0.00 2.06 -0.16 0.44 1.01 -1.26 -4.98 121.20 118.31 1c20 s ILE 91 Ca 0.00 -0.96 0.15 0.00 0.00 0.00 0.00 60.65 59.84 1c20 s ILE 91 Cb 0.00 -1.84 0.41 0.00 0.01 0.00 0.00 42.46 41.04 1c20 s ILE 91 CO 0.00 0.54 1.20 0.35 0.00 0.00 0.00 174.94 177.03 1c20 n THR 92 N 4.35 1.67 -2.35 2.92 -2.24 -1.26 -4.69 114.28 112.68 1c20 n THR 92 Ca -0.20 -2.64 0.01 0.00 -2.27 0.00 0.00 64.05 58.94 1c20 n THR 92 Cb 0.51 0.04 -0.01 0.00 -2.10 0.00 0.00 70.33 68.77 1c20 n THR 92 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1c20 n SER 93 N -0.77 0.40 -0.38 3.42 3.41 -1.26 -4.91 113.62 113.53 1c20 n SER 93 Ca 0.16 -2.00 -0.02 0.00 -0.26 0.00 0.00 58.87 56.75 1c20 n SER 93 Cb 0.78 -0.12 0.11 0.00 -0.26 0.00 0.00 64.21 64.73 1c20 n SER 93 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1c20 h ALA 94 N 0.70 1.28 0.20 7.33 0.00 -1.98 -1.06 119.26 125.73 1c20 h ALA 94 Ca -0.33 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.52 1c20 h ALA 94 Cb 1.75 -0.41 -0.04 0.00 0.00 0.00 0.00 17.79 19.10 1c20 h ALA 94 CO -0.02 0.67 -0.36 0.00 0.00 0.00 0.00 179.25 179.54 1c20 h ALA 95 N 1.37 -0.68 -0.73 0.00 0.00 -1.96 0.41 119.26 117.68 1c20 h ALA 95 Ca 0.37 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 1c20 h ALA 95 Cb -0.15 0.57 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1c20 h ALA 95 CO -0.08 -0.93 0.37 0.35 0.00 0.00 0.00 179.25 178.96 1c20 h PHE 96 N -0.64 1.03 -0.67 0.00 3.04 -1.91 -2.62 116.94 115.17 1c20 h PHE 96 Ca 0.01 -0.04 -0.08 0.00 3.98 0.00 0.00 57.97 61.84 1c20 h PHE 96 Cb 0.64 -0.32 -0.03 0.00 2.56 0.00 0.00 35.95 38.80 1c20 h PHE 96 CO -0.28 0.74 0.09 1.15 -2.02 0.00 0.00 178.31 177.99 1c20 h THR 97 N 1.01 1.27 0.14 4.41 2.02 -0.69 -2.76 112.91 118.31 1c20 h THR 97 Ca 0.25 -1.06 -0.01 0.00 0.77 0.00 0.00 66.41 66.36 1c20 h THR 97 Cb 0.08 0.66 0.00 0.00 -1.74 0.00 0.00 68.15 67.15 1c20 h THR 97 CO -0.04 0.40 -0.07 -0.07 0.37 0.00 0.00 175.52 176.11 1c20 h LEU 98 N 1.03 -0.16 -0.93 2.58 3.38 0.07 -2.84 115.31 118.44 1c20 h LEU 98 Ca 0.20 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1c20 h LEU 98 Cb 0.47 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 1c20 h LEU 98 CO 0.02 -0.01 0.53 0.08 0.09 0.00 0.00 178.44 179.15 1c20 h ARG 99 N -0.31 1.28 -0.08 1.13 0.11 -1.46 -2.50 114.38 112.53 1c20 h ARG 99 Ca -0.02 -0.13 -0.01 0.00 0.10 0.00 0.00 59.98 59.91 1c20 h ARG 99 Cb 0.25 -0.26 -0.00 0.00 1.11 0.00 0.00 29.97 31.07 1c20 h ARG 99 CO 0.03 0.91 -0.00 0.00 0.10 0.00 0.00 179.97 181.01 1c20 h THR 100 N 1.29 1.26 -0.69 0.08 1.03 -1.45 -1.74 112.91 112.69 1c20 h THR 100 Ca 0.33 -0.82 0.01 0.00 -0.01 0.00 0.00 66.41 65.91 1c20 h THR 100 Cb -0.01 1.64 -0.03 0.00 -1.07 0.00 0.00 68.15 68.68 1c20 h THR 100 CO -0.06 0.23 0.45 1.56 -0.01 0.00 0.00 175.52 177.69 1c20 h GLN 101 N -0.14 0.90 -0.00 0.00 4.20 -1.46 0.37 115.11 118.97 1c20 h GLN 101 Ca 0.02 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.68 1c20 h GLN 101 Cb 0.36 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 27.94 1c20 h GLN 101 CO 0.01 0.60 0.00 -0.92 -0.67 0.00 0.00 178.83 177.85 1c20 h TYR 102 N 0.93 0.00 0.00 2.96 5.03 -1.41 -1.16 116.97 123.32 1c20 h TYR 102 Ca 0.25 0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.55 1c20 h TYR 102 Cb -0.10 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 38.18 1c20 h TYR 102 CO -0.02 -0.00 -0.07 0.52 -1.32 0.00 0.00 178.16 177.26 1c20 h MET 103 N 0.00 0.00 -0.61 1.82 2.86 -0.90 1.02 114.93 119.11 1c20 h MET 103 Ca 0.00 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.65 1c20 h MET 103 Cb 0.00 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.63 1c20 h MET 103 CO -0.00 0.07 0.40 -0.22 1.06 0.00 0.00 176.91 178.23 1c20 h LYS 104 N 0.00 0.80 0.00 1.72 1.63 0.38 -3.38 116.57 117.71 1c20 h LYS 104 Ca -0.00 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.75 1c20 h LYS 104 Cb 0.20 -0.18 0.00 0.00 -0.60 0.00 0.00 32.23 31.65 1c20 h LYS 104 CO 0.01 0.53 0.00 0.66 -3.45 0.00 0.00 179.45 177.20 1c20 n TYR 105 N -4.66 0.00 0.53 1.91 4.01 -1.04 -4.88 117.16 113.02 1c20 n TYR 105 Ca 0.05 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.84 1c20 n TYR 105 Cb 0.02 0.02 -0.03 0.00 -0.31 0.00 0.00 39.34 39.04 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 1.00 0.11 7.72 4.77 0.35 -4.30 117.00 126.65 1c20 n LEU 106 Ca 0.00 -0.65 -0.18 0.00 -0.03 0.00 0.00 56.01 55.15 1c20 n LEU 106 Cb 0.29 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.24 1c20 n LEU 106 CO 0.00 0.21 -0.10 0.22 -1.33 0.00 0.00 177.39 176.39 1c20 h TYR 107 N 0.76 0.61 -0.05 -1.77 3.20 -1.61 -2.55 116.97 115.56 1c20 h TYR 107 Ca 0.00 -0.45 -0.12 0.00 3.14 0.00 0.00 58.73 61.30 1c20 h TYR 107 Cb 0.35 -0.02 0.01 0.00 1.54 0.00 0.00 36.73 38.60 1c20 h TYR 107 CO 0.00 1.35 -0.45 -1.00 -1.64 0.00 0.00 178.16 176.42 1c20 h PRO 108 N 0.09 0.40 0.01 1.82 0.14 -1.86 -2.43 132.00 130.17 1c20 h PRO 108 Ca -0.16 -0.36 -0.00 0.00 0.14 0.00 0.00 66.00 65.62 1c20 h PRO 108 Cb 2.02 0.09 0.00 0.00 0.14 0.00 0.00 31.00 33.25 1c20 h PRO 108 CO 0.22 1.01 -0.00 -0.92 0.14 0.00 0.00 178.00 178.45 1c20 h TYR 109 N -0.10 -0.01 -0.19 1.56 3.20 -1.75 0.40 116.97 120.08 1c20 h TYR 109 Ca -0.04 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.86 1c20 h TYR 109 Cb 1.13 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 39.37 1c20 h TYR 109 CO 0.13 0.01 -0.04 1.49 -1.64 0.00 0.00 178.16 178.12 1c20 h GLU 110 N -0.03 0.01 -0.71 1.82 4.81 -1.54 -1.52 114.58 117.42 1c20 h GLU 110 Ca -0.00 -0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 1c20 h GLU 110 Cb 0.03 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.37 1c20 h GLU 110 CO 0.00 0.01 0.22 0.00 -0.73 0.00 0.00 179.01 178.51 1c20 h GLU 112 N 1.05 0.29 -0.38 0.00 4.57 0.21 2.46 114.58 122.78 1c20 h GLU 112 Ca 0.23 -0.07 -0.16 0.00 -1.18 0.00 0.00 59.36 58.17 1c20 h GLU 112 Cb 0.31 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.86 1c20 h GLU 112 CO -0.01 0.43 -0.40 0.87 -1.18 0.00 0.00 179.01 178.72 1c20 h LYS 113 N 0.09 0.94 0.00 1.92 1.79 -1.25 -3.38 116.57 116.68 1c20 h LYS 113 Ca 0.06 -0.50 0.00 0.00 -2.18 0.00 0.00 60.65 58.02 1c20 h LYS 113 Cb 0.28 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.95 1c20 h LYS 113 CO 0.00 1.16 -0.90 1.63 -1.08 0.00 0.00 179.45 180.26 1c20 n LYS 114 N -4.06 0.59 -3.61 3.15 4.76 -0.49 -5.04 118.16 113.46 1c20 n LYS 114 Ca -0.02 0.00 -0.20 0.00 -2.87 0.00 0.00 58.31 55.21 1c20 n LYS 114 Cb 0.55 -0.95 0.05 0.00 -1.84 0.00 0.00 35.03 32.84 1c20 n LYS 114 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1c20 n ASN 115 N -1.36 -1.81 -0.31 4.39 2.85 0.83 -4.86 115.26 114.98 1c20 n ASN 115 Ca 0.00 -0.78 -0.04 0.00 -0.11 0.00 0.00 54.58 53.65 1c20 n ASN 115 Cb 0.00 -4.34 0.08 0.00 1.24 0.00 0.00 39.78 36.76 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 -1.83 1.03 0.00 1.20 3.38 -1.78 -3.46 115.31 113.84 1c20 h LEU 116 Ca -0.61 -0.07 -0.30 0.00 0.09 0.00 0.00 57.88 56.99 1c20 h LEU 116 Cb 1.35 -0.26 -0.08 0.00 0.09 0.00 0.00 40.66 41.77 1c20 h LEU 116 CO 0.54 0.80 -0.23 -1.20 0.09 0.00 0.00 178.44 178.44 1c20 n SER 117 N -4.42 -0.87 -4.20 -0.43 7.64 -1.26 -5.06 113.62 105.02 1c20 n SER 117 Ca 0.09 -2.64 -0.19 0.00 1.01 0.00 0.00 58.87 57.15 1c20 n SER 117 Cb 0.06 1.74 -0.12 0.00 -1.01 0.00 0.00 64.21 64.89 1c20 n SER 117 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1c20 s THR 118 N -2.89 1.22 0.64 0.44 -4.23 -1.26 -4.95 115.64 104.60 1c20 s THR 118 Ca 0.27 -1.45 0.23 0.00 -1.18 0.00 0.00 61.69 59.56 1c20 s THR 118 Cb 0.00 -1.25 0.27 0.00 1.34 0.00 0.00 72.50 72.86 1c20 s THR 118 CO 0.19 -0.28 1.66 -0.65 -0.54 0.00 0.00 174.62 175.01 1c20 h PRO 119 N 4.03 0.00 0.44 3.99 0.10 -2.01 -0.66 132.00 137.89 1c20 h PRO 119 Ca -0.41 0.00 -0.02 0.00 0.10 0.00 0.00 66.00 65.67 1c20 h PRO 119 Cb 1.19 0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.30 1c20 h PRO 119 CO 0.43 0.00 -0.21 0.00 0.10 0.00 0.00 178.00 178.32 1c20 h ALA 120 N 1.01 -0.59 0.00 -0.75 0.00 -2.01 -2.95 119.26 113.97 1c20 h ALA 120 Ca 0.10 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1c20 h ALA 120 Cb 1.30 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 19.32 1c20 h ALA 120 CO -0.00 -0.58 -0.12 1.05 0.00 0.00 0.00 179.25 179.60 1c20 h GLU 121 N -1.09 0.00 -0.66 0.00 4.11 -1.70 -2.42 114.58 112.82 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 0.52 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.74 1c20 h GLU 121 CO 0.10 0.12 0.44 1.25 0.07 0.00 0.00 179.01 180.98 1c20 h LEU 122 N 0.00 0.76 -0.97 3.06 5.85 -1.13 0.27 115.31 123.15 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 0.50 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.29 1c20 h LEU 122 CO 0.02 0.55 0.64 -0.61 -0.34 0.00 0.00 178.44 178.70 1c20 h GLN 123 N 0.90 1.27 -0.92 1.25 5.75 -1.26 0.34 115.11 122.45 1c20 h GLN 123 Ca 0.24 -0.08 0.01 0.00 -0.15 0.00 0.00 58.65 58.68 1c20 h GLN 123 Cb -0.10 -0.29 -0.05 0.00 1.07 0.00 0.00 27.48 28.12 1c20 h GLN 123 CO -0.06 0.84 0.61 0.00 -2.65 0.00 0.00 178.83 177.58 1c20 h ALA 124 N 1.36 1.35 -0.43 3.38 0.00 -1.14 0.48 119.26 124.27 1c20 h ALA 124 Ca 0.36 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 55.07 1c20 h ALA 124 Cb -0.15 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.26 1c20 h ALA 124 CO -0.08 0.60 -0.27 0.00 0.00 0.00 0.00 179.25 179.51 1c20 h ALA 125 N 1.43 0.72 -0.31 0.00 0.00 0.98 1.04 119.26 123.12 1c20 h ALA 125 Ca 0.34 -0.41 -0.14 0.00 0.00 0.00 0.00 54.91 54.71 1c20 h ALA 125 Cb -0.13 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 1c20 h ALA 125 CO -0.08 0.67 -0.34 0.82 0.00 0.00 0.00 179.25 180.33 1c20 h ILE 126 N 0.78 1.29 -0.07 0.00 2.04 0.73 -1.67 117.51 120.61 1c20 h ILE 126 Ca 0.09 -1.51 -0.25 0.00 1.00 0.00 0.00 64.86 64.19 1c20 h ILE 126 Cb 0.83 1.54 0.02 0.00 -0.74 0.00 0.00 36.82 38.47 1c20 h ILE 126 CO 0.07 0.49 -0.93 -0.78 0.00 0.00 0.00 178.15 177.00 1c20 h ASP 127 N 0.55 0.94 0.07 1.72 1.82 0.02 -3.14 116.42 118.39 1c20 h ASP 127 Ca 0.05 -0.69 -0.01 0.00 -0.39 0.00 0.00 57.03 55.99 1c20 h ASP 127 Cb 0.92 -0.28 -0.00 0.00 0.68 0.00 0.00 39.33 40.64 1c20 h ASP 127 CO 0.08 1.49 -0.04 1.23 -1.61 0.00 0.00 179.24 180.40 1c20 h GLY 128 N 0.47 0.00 2.00 -0.78 0.00 0.12 -1.74 103.07 103.14 1c20 h GLY 128 Ca -0.10 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.23 1c20 h GLY 128 CO 0.19 0.00 -0.00 3.45 0.00 0.00 0.00 176.54 180.18 1c20 h ASN 129 N 0.00 0.00 0.00 0.19 -1.07 -1.24 -3.50 115.58 109.95 1c20 h ASN 129 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 1c20 h ASN 129 Cb 0.08 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.33 1c20 h ASN 129 CO 0.00 0.00 0.00 -2.11 0.07 0.00 0.00 177.43 175.39