#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 3.28 0.20 1.61 -0.11 -1.26 -5.01 118.94 117.65 1c20 s TRP 4 Ca 0.00 1.31 -0.22 0.00 1.22 0.00 0.00 56.10 58.41 1c20 s TRP 4 Cb 0.00 -3.36 -0.08 0.00 -1.50 0.00 0.00 33.47 28.52 1c20 s TRP 4 CO 0.00 -1.05 0.75 -1.54 -4.62 0.00 0.00 176.95 170.49 1c20 s SER 5 N 1.36 7.20 0.17 5.86 1.04 -1.26 -4.97 113.70 123.10 1c20 s SER 5 Ca 0.54 1.52 -0.10 0.00 0.48 0.00 0.00 55.95 58.40 1c20 s SER 5 Cb -0.23 -2.46 0.02 0.00 0.10 0.00 0.00 66.02 63.45 1c20 s SER 5 CO 0.22 0.11 1.57 -0.26 0.98 0.00 0.00 173.24 175.86 1c20 h PHE 6 N 3.83 1.16 0.00 5.02 -1.00 -2.03 -2.77 116.94 121.15 1c20 h PHE 6 Ca -0.48 -0.26 -0.01 0.00 2.81 0.00 0.00 57.97 60.04 1c20 h PHE 6 Cb 1.20 -0.28 -0.00 0.00 3.61 0.00 0.00 35.95 40.48 1c20 h PHE 6 CO 0.64 1.09 -0.02 0.93 -1.61 0.00 0.00 178.31 179.34 1c20 h GLU 7 N 0.90 0.00 -0.69 1.51 4.39 -2.00 -2.16 114.58 116.54 1c20 h GLU 7 Ca 0.13 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.84 1c20 h GLU 7 Cb 0.74 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.35 1c20 h GLU 7 CO 0.06 0.02 0.46 1.49 -1.16 0.00 0.00 179.01 179.88 1c20 h GLU 8 N 0.00 0.90 -0.14 2.33 4.81 -1.89 -1.38 114.58 119.21 1c20 h GLU 8 Ca -0.00 -0.05 -0.12 0.00 -0.13 0.00 0.00 59.36 59.06 1c20 h GLU 8 Cb 0.09 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 1c20 h GLU 8 CO 0.00 0.60 -0.44 1.96 -0.73 0.00 0.00 179.01 180.41 1c20 h GLN 9 N 0.93 0.32 0.12 1.92 4.20 -1.53 -3.08 115.11 117.99 1c20 h GLN 9 Ca 0.25 -0.17 -0.01 0.00 0.06 0.00 0.00 58.65 58.79 1c20 h GLN 9 Cb -0.10 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.68 1c20 h GLN 9 CO -0.06 0.70 -0.06 0.35 -0.67 0.00 0.00 178.83 179.10 1c20 h PHE 10 N 0.27 -0.14 -0.08 2.96 3.57 -1.15 -2.42 116.94 119.95 1c20 h PHE 10 Ca 0.02 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.47 1c20 h PHE 10 Cb 0.88 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.66 1c20 h PHE 10 CO 0.02 -0.05 -0.15 1.57 -2.23 0.00 0.00 178.31 177.47 1c20 h LYS 11 N -0.20 0.12 0.00 1.11 2.10 -1.41 -1.10 116.57 117.19 1c20 h LYS 11 Ca -0.02 -0.03 -0.03 0.00 -2.00 0.00 0.00 60.65 58.58 1c20 h LYS 11 Cb 0.16 -0.02 -0.00 0.00 -0.90 0.00 0.00 32.23 31.47 1c20 h LYS 11 CO 0.03 0.28 -0.14 1.96 -2.00 0.00 0.00 179.45 179.58 1c20 h GLN 12 N 0.12 0.00 -0.45 0.07 4.20 -1.36 -1.52 115.11 116.17 1c20 h GLN 12 Ca 0.02 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.60 1c20 h GLN 12 Cb 0.35 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 1c20 h GLN 12 CO 0.02 0.14 -0.25 0.28 -0.67 0.00 0.00 178.83 178.34 1c20 h VAL 13 N 0.00 1.27 -0.38 -0.54 2.07 -0.75 -2.84 116.25 115.08 1c20 h VAL 13 Ca -0.00 -1.42 0.05 0.00 0.82 0.00 0.00 66.70 66.16 1c20 h VAL 13 Cb 0.26 1.19 -0.05 0.00 -1.52 0.00 0.00 31.29 31.17 1c20 h VAL 13 CO 0.02 0.48 0.09 -0.09 0.02 0.00 0.00 177.57 178.09 1c20 h ARG 14 N 0.81 0.22 0.00 1.57 2.43 -1.20 0.12 114.38 118.33 1c20 h ARG 14 Ca 0.10 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 1c20 h ARG 14 Cb 0.83 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.33 1c20 h ARG 14 CO 0.07 0.14 -0.05 -0.56 -1.51 0.00 0.00 179.97 178.07 1c20 h GLN 15 N 0.23 0.00 -0.41 0.20 3.07 -1.41 -1.68 115.11 115.11 1c20 h GLN 15 Ca 0.18 0.00 -0.06 0.00 0.09 0.00 0.00 58.65 58.86 1c20 h GLN 15 Cb 0.20 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.74 1c20 h GLN 15 CO -0.22 0.05 0.03 -0.07 0.09 0.00 0.00 178.83 178.72 1c20 h LEU 16 N 0.00 0.68 -0.78 0.06 4.07 -0.52 -2.49 115.31 116.33 1c20 h LEU 16 Ca -0.00 -0.28 -0.05 0.00 0.08 0.00 0.00 57.88 57.62 1c20 h LEU 16 Cb 0.19 -0.18 -0.03 0.00 1.08 0.00 0.00 40.66 41.72 1c20 h LEU 16 CO 0.01 0.79 0.28 1.88 -1.08 0.00 0.00 178.44 180.32 1c20 h TYR 17 N 0.54 1.22 0.00 1.13 0.05 -1.00 -1.71 116.97 117.19 1c20 h TYR 17 Ca 0.12 -0.11 0.00 0.00 0.05 0.00 0.00 58.73 58.79 1c20 h TYR 17 Cb 0.42 -0.36 0.00 0.00 1.01 0.00 0.00 36.73 37.81 1c20 h TYR 17 CO 0.03 0.94 0.00 0.39 -1.05 0.00 0.00 178.16 178.47 1c20 n GLU 18 N -4.26 0.04 -0.32 4.88 -0.58 -0.83 -3.03 120.64 116.54 1c20 n GLU 18 Ca 0.07 0.31 0.09 0.00 -0.42 0.00 0.00 57.16 57.21 1c20 n GLU 18 Cb 0.21 -1.50 0.25 0.00 -0.57 0.00 0.00 31.44 29.83 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 0.75 -2.27 -3.67 2.04 -0.96 -3.45 117.51 109.95 1c20 h ILE 19 Ca 0.00 -0.24 0.14 0.00 1.00 0.00 0.00 64.86 65.76 1c20 h ILE 19 Cb 0.09 -0.03 -0.12 0.00 -0.74 0.00 0.00 36.82 36.02 1c20 h ILE 19 CO 0.00 0.13 0.50 0.20 0.00 0.00 0.00 178.15 178.98 1c20 s ASN 20 N -5.46 -0.28 -0.09 1.72 0.01 -1.17 -5.01 114.94 104.67 1c20 s ASN 20 Ca -0.12 -0.16 0.10 0.00 -0.71 0.00 0.00 52.86 51.97 1c20 s ASN 20 Cb 0.23 0.42 0.46 0.00 0.41 0.00 0.00 41.25 42.77 1c20 s ASN 20 CO 0.79 -0.72 1.29 -0.90 -1.51 0.00 0.00 177.10 176.05 1c20 n ASP 21 N -0.34 3.34 -4.68 -1.22 5.75 -1.26 -4.86 116.55 113.28 1c20 n ASP 21 Ca -0.08 -2.36 -0.43 0.00 -0.01 0.00 0.00 54.79 51.91 1c20 n ASP 21 Cb 0.61 -0.50 -0.03 0.00 -1.03 0.00 0.00 41.12 40.17 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 0.54 3.91 -0.27 -1.12 8.00 -1.26 -4.87 116.55 121.48 1c20 n ASP 22 Ca 0.16 0.98 -0.02 0.00 0.71 0.00 0.00 54.79 56.62 1c20 n ASP 22 Cb 0.66 -1.51 0.16 0.00 -0.02 0.00 0.00 41.12 40.41 1c20 n ASP 22 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1c20 h PRO 23 N 8.66 1.11 0.01 -0.24 0.13 -1.99 -2.44 132.00 137.23 1c20 h PRO 23 Ca -0.47 -0.12 0.00 0.00 -0.87 0.00 0.00 66.00 64.54 1c20 h PRO 23 Cb 1.23 -0.22 -0.00 0.00 0.13 0.00 0.00 31.00 32.14 1c20 h PRO 23 CO 0.94 0.81 -0.00 -0.22 -0.23 0.00 0.00 178.00 179.30 1c20 h LYS 24 N 1.12 -0.01 -0.31 0.86 3.64 -1.99 0.13 116.57 120.01 1c20 h LYS 24 Ca 0.28 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.65 1c20 h LYS 24 Cb 0.02 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 1c20 h LYS 24 CO -0.05 -0.01 0.14 -0.09 -2.27 0.00 0.00 179.45 177.18 1c20 h ARG 25 N -0.01 0.46 -0.26 1.90 2.43 -1.93 -0.85 114.38 116.12 1c20 h ARG 25 Ca 0.00 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1c20 h ARG 25 Cb 0.01 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 1c20 h ARG 25 CO -0.00 0.44 0.17 -0.22 -1.51 0.00 0.00 179.97 178.85 1c20 h LYS 26 N 0.36 0.35 -0.61 0.20 3.64 -1.25 -1.70 116.57 117.56 1c20 h LYS 26 Ca 0.11 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1c20 h LYS 26 Cb 0.14 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.85 1c20 h LYS 26 CO -0.01 0.23 0.39 1.49 -2.27 0.00 0.00 179.45 179.27 1c20 h GLU 27 N 0.36 0.81 0.17 1.90 4.81 -0.56 -0.13 114.58 121.94 1c20 h GLU 27 Ca 0.10 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 1c20 h GLU 27 Cb -0.04 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.16 1c20 h GLU 27 CO -0.02 0.55 -0.08 0.35 -0.73 0.00 0.00 179.01 179.08 1c20 h PHE 28 N 0.82 -0.22 -0.62 0.92 3.04 -0.78 0.24 116.94 120.35 1c20 h PHE 28 Ca 0.22 -0.01 0.01 0.00 3.98 0.00 0.00 57.97 62.17 1c20 h PHE 28 Cb -0.06 0.07 -0.03 0.00 2.56 0.00 0.00 35.95 38.49 1c20 h PHE 28 CO -0.03 -0.13 0.41 -0.07 -2.02 0.00 0.00 178.31 176.47 1c20 h LEU 29 N -0.23 0.71 -1.00 0.59 3.38 -1.14 0.37 115.31 117.99 1c20 h LEU 29 Ca -0.02 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.94 1c20 h LEU 29 Cb 0.18 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 1c20 h LEU 29 CO 0.04 0.51 0.66 -0.78 0.09 0.00 0.00 178.44 178.96 1c20 h ASP 30 N 0.84 1.14 0.09 -0.43 1.82 -0.68 -0.03 116.42 119.18 1c20 h ASP 30 Ca 0.23 -0.03 -0.00 0.00 -0.39 0.00 0.00 57.03 56.83 1c20 h ASP 30 Cb -0.10 -0.28 0.00 0.00 0.68 0.00 0.00 39.33 39.63 1c20 h ASP 30 CO -0.05 0.82 -0.05 0.44 -1.61 0.00 0.00 179.24 178.80 1c20 h ASP 31 N 1.35 -0.11 0.32 2.28 3.32 0.54 -1.29 116.42 122.83 1c20 h ASP 31 Ca 0.37 -0.48 -0.02 0.00 0.02 0.00 0.00 57.03 56.92 1c20 h ASP 31 Cb -0.15 0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.43 1c20 h ASP 31 CO -0.08 0.50 -0.15 0.25 -1.72 0.00 0.00 179.24 178.03 1c20 h LEU 32 N -0.79 -0.36 -1.04 1.55 5.85 -0.23 -1.57 115.31 118.71 1c20 h LEU 32 Ca -0.01 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.73 1c20 h LEU 32 Cb 0.58 0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.65 1c20 h LEU 32 CO 0.02 -0.26 0.65 -0.26 -0.34 0.00 0.00 178.44 178.25 1c20 h PHE 33 N -0.43 1.23 -0.22 1.25 -1.00 -1.13 -2.76 116.94 113.88 1c20 h PHE 33 Ca -0.04 0.03 0.04 0.00 2.81 0.00 0.00 57.97 60.81 1c20 h PHE 33 Cb 0.33 -0.42 -0.04 0.00 3.61 0.00 0.00 35.95 39.44 1c20 h PHE 33 CO -0.05 0.77 -0.02 0.77 -1.61 0.00 0.00 178.31 178.17 1c20 h SER 34 N 1.33 -0.14 0.57 2.17 0.02 -0.71 1.51 113.55 118.30 1c20 h SER 34 Ca 0.36 0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 61.35 1c20 h SER 34 Cb -0.15 0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 1c20 h SER 34 CO -0.08 -0.04 -0.39 0.15 -1.14 0.00 0.00 176.83 175.33 1c20 h PHE 35 N 0.04 -1.05 0.00 3.45 3.04 -1.02 -1.78 116.94 119.62 1c20 h PHE 35 Ca 0.11 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.05 1c20 h PHE 35 Cb 0.15 0.38 0.00 0.00 2.56 0.00 0.00 35.95 39.04 1c20 h PHE 35 CO -0.21 -0.58 0.00 0.00 -2.02 0.00 0.00 178.31 175.51 1c20 n MET 36 N -5.52 0.14 0.01 1.11 0.00 -1.11 -3.17 117.12 108.58 1c20 n MET 36 Ca -0.12 0.37 0.01 0.00 0.00 0.00 0.00 57.70 57.95 1c20 n MET 36 Cb 0.41 -1.76 0.03 0.00 0.00 0.00 0.00 33.22 31.90 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 -2.01 0.01 -0.24 3.17 0.00 0.52 -2.55 117.38 116.28 1c20 n GLN 37 Ca 0.03 0.35 -0.00 0.00 -0.00 0.00 0.00 57.00 57.38 1c20 n GLN 37 Cb 0.21 -1.69 0.07 0.00 0.00 0.00 0.00 30.24 28.83 1c20 n GLN 37 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.06 176.84 1c20 h LYS 38 N 0.00 -0.02 -0.16 3.69 1.63 -1.70 0.78 116.57 120.79 1c20 h LYS 38 Ca 0.00 0.00 -0.13 0.00 -0.85 0.00 0.00 60.65 59.67 1c20 h LYS 38 Cb 0.34 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.96 1c20 h LYS 38 CO 0.00 -0.01 -0.46 0.00 -3.45 0.00 0.00 179.45 175.53 1c20 h ARG 39 N -0.02 0.40 0.00 1.90 3.08 -1.83 -3.46 114.38 114.44 1c20 h ARG 39 Ca 0.33 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 60.16 1c20 h ARG 39 Cb 0.51 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.58 1c20 h ARG 39 CO -0.72 0.78 0.00 0.41 -1.07 0.00 0.00 179.97 179.38 1c20 n GLY 40 N 0.02 0.63 3.64 0.04 0.00 0.27 -5.07 105.19 104.72 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 -2.33 3.51 0.92 2.61 -4.23 -1.26 -5.05 115.64 109.82 1c20 s THR 41 Ca 0.00 -1.71 -0.13 0.00 -1.18 0.00 0.00 61.69 58.67 1c20 s THR 41 Cb 0.00 -2.82 0.20 0.00 1.34 0.00 0.00 72.50 71.21 1c20 s THR 41 CO 0.00 -0.25 0.44 -0.81 -0.54 0.00 0.00 174.62 173.46 1c20 n PRO 42 N -0.52 -1.87 0.00 3.99 -0.04 -1.26 -4.83 135.00 130.48 1c20 n PRO 42 Ca -0.08 -0.74 0.00 0.00 -0.04 0.00 0.00 63.50 62.64 1c20 n PRO 42 Cb 0.57 -1.31 0.00 0.00 -0.04 0.00 0.00 33.50 32.72 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 -4.39 0.00 0.00 0.52 0.13 -1.26 -4.89 119.36 109.47 1c20 n ILE 43 Ca 0.07 0.00 -0.18 0.00 -1.10 0.00 0.00 62.75 61.54 1c20 n ILE 43 Cb 0.31 0.00 -0.14 0.00 -0.84 0.00 0.00 39.64 38.97 1c20 n ILE 43 CO 0.00 0.00 0.00 -1.13 2.80 0.00 0.00 176.55 178.22 1c20 h ASN 44 N 0.00 0.30 -4.54 9.51 -0.73 -1.94 -3.49 115.58 114.70 1c20 h ASN 44 Ca 0.00 -0.95 0.10 0.00 1.87 0.00 0.00 56.30 57.32 1c20 h ASN 44 Cb 0.00 -0.10 -0.17 0.00 0.27 0.00 0.00 38.32 38.32 1c20 h ASN 44 CO 0.00 1.29 0.50 -0.60 -0.37 0.00 0.00 177.43 178.25 1c20 s ARG 45 N -2.36 0.77 -0.41 6.67 3.52 -1.26 -5.11 118.95 120.77 1c20 s ARG 45 Ca -0.16 -0.19 0.01 0.00 -0.13 0.00 0.00 55.73 55.26 1c20 s ARG 45 Cb 0.00 0.36 0.13 0.00 -1.56 0.00 0.00 34.95 33.88 1c20 s ARG 45 CO 0.78 -0.32 0.21 -1.17 -0.81 0.00 0.00 175.30 173.99 1c20 s LEU 46 N -2.16 2.44 1.07 -0.88 1.98 -1.26 -5.13 118.68 114.75 1c20 s LEU 46 Ca 0.03 -2.42 -0.12 0.00 -2.89 0.00 0.00 54.13 48.73 1c20 s LEU 46 Cb -0.01 -0.94 0.23 0.00 0.66 0.00 0.00 46.19 46.13 1c20 s LEU 46 CO -0.06 -0.30 1.06 -2.84 -1.89 0.00 0.00 176.35 172.33 1c20 s PRO 47 N 0.63 -0.18 -0.04 0.98 0.02 -1.26 -4.89 135.00 130.26 1c20 s PRO 47 Ca 0.16 0.90 0.04 0.00 0.02 0.00 0.00 61.00 62.12 1c20 s PRO 47 Cb -0.23 -1.64 -0.00 0.00 0.02 0.00 0.00 34.50 32.65 1c20 s PRO 47 CO -0.03 -3.25 -0.16 0.42 -0.33 0.00 0.00 177.00 173.65 1c20 s ILE 48 N -2.62 1.33 -0.05 2.83 -1.09 -1.26 -2.91 121.20 117.43 1c20 s ILE 48 Ca 0.67 -0.67 0.01 0.00 -2.23 0.00 0.00 60.65 58.42 1c20 s ILE 48 Cb -0.23 -1.14 0.02 0.00 -1.58 0.00 0.00 42.46 39.53 1c20 s ILE 48 CO 0.62 0.39 -0.04 0.00 -1.23 0.00 0.00 174.94 174.67 1c20 s MET 49 N -0.01 0.86 -0.13 2.79 0.23 0.21 -4.95 119.30 118.29 1c20 s MET 49 Ca -0.02 -0.09 -0.12 0.00 -1.03 0.00 0.00 55.69 54.44 1c20 s MET 49 Cb -0.10 -0.93 0.02 0.00 -1.53 0.00 0.00 34.83 32.29 1c20 s MET 49 CO 0.01 -0.13 0.19 0.00 -2.03 0.00 0.00 175.02 173.07 1c20 n ALA 50 N 4.29 -1.72 -1.50 3.16 0.00 -1.26 0.11 120.51 123.59 1c20 n ALA 50 Ca -0.21 0.10 -0.01 0.00 0.00 0.00 0.00 53.44 53.32 1c20 n ALA 50 Cb 0.51 -0.82 -0.00 0.00 0.00 0.00 0.00 19.45 19.13 1c20 n ALA 50 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1c20 n LYS 51 N 0.50 -1.63 -4.23 0.00 4.76 -1.26 -4.83 118.16 111.47 1c20 n LYS 51 Ca -0.03 0.07 -0.13 0.00 -2.87 0.00 0.00 58.31 55.36 1c20 n LYS 51 Cb 0.38 -4.25 -0.10 0.00 -1.84 0.00 0.00 35.03 29.22 1c20 n LYS 51 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1c20 s SER 52 N -1.39 1.10 0.08 4.39 0.15 0.31 -5.16 113.70 113.18 1c20 s SER 52 Ca 0.00 -1.18 0.09 0.00 0.70 0.00 0.00 55.95 55.56 1c20 s SER 52 Cb 0.00 0.14 -0.03 0.00 -1.71 0.00 0.00 66.02 64.42 1c20 s SER 52 CO 0.00 -0.59 -0.24 0.68 1.20 0.00 0.00 173.24 174.30 1c20 s VAL 53 N -3.71 1.93 -0.23 4.45 -7.23 -1.26 0.64 120.40 114.99 1c20 s VAL 53 Ca 0.24 -1.47 -0.29 0.00 -1.81 0.00 0.00 61.98 58.65 1c20 s VAL 53 Cb 0.06 -1.70 -0.04 0.00 0.56 0.00 0.00 36.38 35.27 1c20 s VAL 53 CO 0.04 0.14 1.91 -0.22 -0.31 0.00 0.00 175.10 176.66 1c20 s LEU 54 N -1.61 3.67 -0.29 1.32 2.96 -1.15 -4.87 118.68 118.72 1c20 s LEU 54 Ca 0.10 1.72 -0.29 0.00 -0.22 0.00 0.00 54.13 55.44 1c20 s LEU 54 Cb -0.10 -3.52 -0.01 0.00 0.50 0.00 0.00 46.19 43.06 1c20 s LEU 54 CO 0.04 -1.61 1.59 -0.62 -1.32 0.00 0.00 176.35 174.42 1c20 s ASP 55 N 6.19 6.28 0.49 3.68 -1.08 -1.26 -4.85 116.67 126.12 1c20 s ASP 55 Ca 0.86 1.34 0.15 0.00 -0.52 0.00 0.00 52.55 54.37 1c20 s ASP 55 Cb -0.29 -2.53 1.16 0.00 -1.46 0.00 0.00 42.92 39.80 1c20 s ASP 55 CO 0.34 -1.39 2.10 -0.07 0.52 0.00 0.00 175.17 176.67 1c20 h LEU 56 N 12.22 0.15 -0.89 -1.34 3.38 -2.01 -2.10 115.31 124.72 1c20 h LEU 56 Ca -0.32 -0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.69 1c20 h LEU 56 Cb 1.14 -0.04 -0.06 0.00 0.09 0.00 0.00 40.66 41.80 1c20 h LEU 56 CO 1.03 0.10 0.57 0.22 0.09 0.00 0.00 178.44 180.45 1c20 h TYR 57 N 0.17 1.07 -1.01 1.13 5.03 -2.01 -2.47 116.97 118.88 1c20 h TYR 57 Ca 0.09 0.03 0.01 0.00 2.58 0.00 0.00 58.73 61.43 1c20 h TYR 57 Cb 0.13 -0.35 -0.05 0.00 1.55 0.00 0.00 36.73 38.01 1c20 h TYR 57 CO -0.00 0.60 0.66 0.93 -1.32 0.00 0.00 178.16 179.03 1c20 h GLU 58 N 1.09 1.33 -0.09 1.82 5.08 -1.78 -1.93 114.58 120.10 1c20 h GLU 58 Ca 0.36 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 1c20 h GLU 58 Cb 0.05 -0.30 -0.00 0.00 0.50 0.00 0.00 28.75 29.00 1c20 h GLU 58 CO -0.13 0.88 0.06 1.25 -1.00 0.00 0.00 179.01 180.07 1c20 h LEU 59 N 1.37 0.10 -0.00 1.33 5.85 -1.53 -1.98 115.31 120.45 1c20 h LEU 59 Ca 0.37 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.09 1c20 h LEU 59 Cb -0.15 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 40.85 1c20 h LEU 59 CO -0.08 0.07 0.00 0.22 -0.34 0.00 0.00 178.44 178.32 1c20 h TYR 60 N 0.12 0.01 -0.98 1.25 3.20 -1.32 -2.48 116.97 116.76 1c20 h TYR 60 Ca 0.03 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1c20 h TYR 60 Cb -0.01 -0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.21 1c20 h TYR 60 CO -0.07 0.01 0.62 -0.91 -1.64 0.00 0.00 178.16 176.16 1c20 h ASN 61 N 0.00 1.15 -1.00 -2.11 2.35 -1.27 -2.28 115.58 112.42 1c20 h ASN 61 Ca 0.00 -0.05 0.01 0.00 -0.55 0.00 0.00 56.30 55.71 1c20 h ASN 61 Cb 0.00 -0.29 -0.05 0.00 0.05 0.00 0.00 38.32 38.03 1c20 h ASN 61 CO -0.00 0.86 0.66 -0.07 -1.65 0.00 0.00 177.43 177.23 1c20 h LEU 62 N 1.34 1.15 0.40 1.61 3.38 -1.13 0.44 115.31 122.50 1c20 h LEU 62 Ca 0.36 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.27 1c20 h LEU 62 Cb -0.11 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 40.36 1c20 h LEU 62 CO -0.07 0.84 -0.19 0.58 0.09 0.00 0.00 178.44 179.68 1c20 h VAL 63 N 1.36 0.00 -0.76 1.22 2.07 -0.96 -3.19 116.25 115.98 1c20 h VAL 63 Ca 0.37 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 67.80 1c20 h VAL 63 Cb -0.15 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 29.58 1c20 h VAL 63 CO -0.08 0.00 0.47 0.40 0.02 0.00 0.00 177.57 178.38 1c20 h ILE 64 N -0.62 1.21 0.00 4.57 2.04 -1.47 -1.14 117.51 122.10 1c20 h ILE 64 Ca -0.06 -0.45 0.00 0.00 1.00 0.00 0.00 64.86 65.35 1c20 h ILE 64 Cb 0.41 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.62 1c20 h ILE 64 CO 0.09 0.22 0.52 0.00 0.00 0.00 0.00 178.15 178.98 1c20 h ALA 65 N 1.46 1.39 0.00 1.87 0.00 -0.09 0.69 119.26 124.57 1c20 h ALA 65 Ca 0.28 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.92 1c20 h ALA 65 Cb -0.05 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 1c20 h ALA 65 CO -0.05 -0.39 -1.99 0.54 0.00 0.00 0.00 179.25 177.36 1c20 n ARG 66 N -2.07 1.50 0.00 0.00 1.74 -0.45 -5.02 116.66 112.36 1c20 n ARG 66 Ca -0.01 0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1c20 n ARG 66 Cb 0.54 -1.37 0.00 0.00 -1.02 0.00 0.00 32.46 30.61 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 2.19 1.93 0.00 -0.13 0.00 0.24 -5.03 105.19 104.39 1c20 n GLY 67 Ca -0.25 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.59 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 3.39 0.09 -0.02 0.00 -1.19 -4.82 105.19 102.64 1c20 n GLY 68 Ca 0.00 -0.92 -0.10 0.00 0.00 0.00 0.00 46.02 44.99 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 0.18 -1.01 0.99 5.85 -1.97 0.73 115.31 120.08 1c20 h LEU 69 Ca 0.00 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.73 1c20 h LEU 69 Cb 0.00 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 40.94 1c20 h LEU 69 CO 0.00 0.13 0.67 0.58 -0.34 0.00 0.00 178.44 179.48 1c20 h VAL 70 N 0.21 1.26 -0.95 1.05 2.07 -1.98 -0.43 116.25 117.48 1c20 h VAL 70 Ca 0.06 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 67.11 1c20 h VAL 70 Cb -0.02 -0.22 -0.05 0.00 -1.52 0.00 0.00 31.29 29.48 1c20 h VAL 70 CO -0.01 0.25 0.57 0.44 0.02 0.00 0.00 177.57 178.84 1c20 h ASP 71 N 1.36 1.14 -0.09 0.57 3.32 -1.67 -1.73 116.42 119.32 1c20 h ASP 71 Ca 0.37 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.34 1c20 h ASP 71 Cb -0.16 -0.29 -0.00 0.00 0.22 0.00 0.00 39.33 39.10 1c20 h ASP 71 CO -0.08 0.88 0.01 0.58 -1.72 0.00 0.00 179.24 178.91 1c20 h VAL 72 N 1.31 1.22 0.13 -1.35 2.07 0.58 -0.95 116.25 119.27 1c20 h VAL 72 Ca 0.34 -0.68 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 1c20 h VAL 72 Cb -0.06 1.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 1c20 h VAL 72 CO -0.06 0.19 -0.07 0.40 0.02 0.00 0.00 177.57 178.05 1c20 h ILE 73 N -0.09 0.86 -0.13 4.57 2.04 -0.86 1.91 117.51 125.81 1c20 h ILE 73 Ca 0.03 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.89 1c20 h ILE 73 Cb 0.29 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 1c20 h ILE 73 CO 0.00 0.00 0.08 -1.13 0.00 0.00 0.00 178.15 177.10 1c20 h ASN 74 N -0.19 0.14 0.82 1.72 -1.24 -1.35 -1.37 115.58 114.12 1c20 h ASN 74 Ca -0.02 -0.00 -0.04 0.00 0.71 0.00 0.00 56.30 56.95 1c20 h ASN 74 Cb 0.14 -0.03 -0.01 0.00 0.73 0.00 0.00 38.32 39.16 1c20 h ASN 74 CO 0.03 0.10 -0.18 0.11 -1.29 0.00 0.00 177.43 176.20 1c20 h LYS 75 N 0.17 0.00 -4.39 6.67 1.79 -0.97 -3.36 116.57 116.48 1c20 h LYS 75 Ca 0.05 0.00 -0.20 0.00 -2.18 0.00 0.00 60.65 58.32 1c20 h LYS 75 Cb -0.02 0.00 0.11 0.00 -1.58 0.00 0.00 32.23 30.75 1c20 h LYS 75 CO -0.01 0.18 -0.51 1.17 -1.08 0.00 0.00 179.45 179.21 1c20 n LYS 76 N -3.40 -3.61 -0.70 3.15 0.00 0.64 -4.92 118.16 109.31 1c20 n LYS 76 Ca -0.00 0.55 0.09 0.00 0.00 0.00 0.00 58.31 58.94 1c20 n LYS 76 Cb 0.38 -4.57 0.38 0.00 0.00 0.00 0.00 35.03 31.22 1c20 n LYS 76 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1c20 n LEU 77 N -2.91 5.08 0.13 3.14 4.77 -0.67 -4.44 117.00 122.10 1c20 n LEU 77 Ca -0.15 -2.57 0.19 0.00 -0.03 0.00 0.00 56.01 53.45 1c20 n LEU 77 Cb 0.60 -0.61 0.76 0.00 -2.33 0.00 0.00 43.42 41.84 1c20 n LEU 77 CO 0.39 0.78 1.17 -0.50 -1.33 0.00 0.00 177.39 177.89 1c20 h TRP 78 N 4.16 0.00 -0.81 -1.77 4.06 -1.92 -0.07 115.95 119.61 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 1.61 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 29.73 1c20 h TRP 78 CO 0.87 0.00 0.54 0.37 -3.56 0.00 0.00 178.44 176.66 1c20 h GLN 79 N 0.00 1.07 -0.82 0.49 5.75 -1.98 -1.80 115.11 117.81 1c20 h GLN 79 Ca 0.16 -0.06 0.01 0.00 -0.15 0.00 0.00 58.65 58.60 1c20 h GLN 79 Cb 0.98 -0.24 -0.04 0.00 1.07 0.00 0.00 27.48 29.25 1c20 h GLN 79 CO -0.00 0.71 0.54 1.49 -2.65 0.00 0.00 178.83 178.91 1c20 h GLU 80 N 1.10 1.08 -0.49 1.69 4.81 -1.36 -0.86 114.58 120.55 1c20 h GLU 80 Ca 0.30 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.43 1c20 h GLU 80 Cb -0.13 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 28.99 1c20 h GLU 80 CO -0.06 0.72 0.18 0.82 -0.73 0.00 0.00 179.01 179.93 1c20 h ILE 81 N 1.11 1.22 -0.34 2.32 2.04 -1.49 -0.13 117.51 122.25 1c20 h ILE 81 Ca 0.30 -0.70 0.00 0.00 1.00 0.00 0.00 64.86 65.46 1c20 h ILE 81 Cb -0.13 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 1c20 h ILE 81 CO -0.06 0.26 0.23 0.40 0.00 0.00 0.00 178.15 178.97 1c20 h ILE 82 N 0.65 1.09 -0.69 -0.67 2.04 -0.79 0.15 117.51 119.29 1c20 h ILE 82 Ca 0.16 -0.16 -0.08 0.00 1.00 0.00 0.00 64.86 65.78 1c20 h ILE 82 Cb 0.23 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 36.87 1c20 h ILE 82 CO -0.01 0.08 0.12 0.11 0.00 0.00 0.00 178.15 178.46 1c20 h LYS 83 N 0.46 1.13 0.05 2.37 1.57 -0.93 -3.04 116.57 118.17 1c20 h LYS 83 Ca 0.12 -0.29 -0.00 0.00 -1.87 0.00 0.00 60.65 58.61 1c20 h LYS 83 Cb -0.05 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.12 1c20 h LYS 83 CO -0.03 1.02 -0.02 0.78 -0.57 0.00 0.00 179.45 180.63 1c20 h GLY 84 N 1.05 -0.07 -5.01 3.86 0.00 -0.65 -3.20 103.07 99.05 1c20 h GLY 84 Ca 0.21 0.03 -0.59 0.00 0.00 0.00 0.00 47.33 46.97 1c20 h GLY 84 CO 0.01 -0.03 1.73 1.04 0.00 0.00 0.00 176.54 179.30 1c20 n LEU 85 N -4.91 7.37 -2.03 3.11 4.77 0.48 -4.97 117.00 120.82 1c20 n LEU 85 Ca -0.08 -4.36 -0.28 0.00 -0.03 0.00 0.00 56.01 51.26 1c20 n LEU 85 Cb 0.24 -1.36 -0.04 0.00 -2.33 0.00 0.00 43.42 39.92 1c20 n LEU 85 CO 0.32 1.93 0.39 1.41 -1.33 0.00 0.00 177.39 180.12 1c20 n HIS 86 N 1.89 0.56 -2.67 -1.77 8.25 -1.15 -4.86 115.22 115.46 1c20 n HIS 86 Ca 0.59 0.49 -0.33 0.00 -0.26 0.00 0.00 57.72 58.20 1c20 n HIS 86 Cb 0.41 -0.95 -0.05 0.00 1.12 0.00 0.00 29.99 30.52 1c20 n HIS 86 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1c20 s LEU 87 N 0.75 3.88 0.00 2.41 1.02 -1.26 -4.86 118.68 120.63 1c20 s LEU 87 Ca 0.43 1.79 0.00 0.00 0.02 0.00 0.00 54.13 56.38 1c20 s LEU 87 Cb -0.61 -4.55 0.00 0.00 0.02 0.00 0.00 46.19 41.05 1c20 s LEU 87 CO 0.31 -0.56 0.00 -0.81 0.02 0.00 0.00 176.35 175.31 1c20 n PRO 88 N -0.83 0.00 -0.82 1.29 -0.04 -1.26 -4.61 135.00 128.72 1c20 n PRO 88 Ca 0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 1c20 n PRO 88 Cb 0.53 -1.00 0.00 0.00 -0.04 0.00 0.00 33.50 32.99 1c20 n PRO 88 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1c20 n SER 89 N -0.43 -0.39 -0.51 3.54 2.88 -1.26 -4.76 113.62 112.70 1c20 n SER 89 Ca 0.00 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 57.64 1c20 n SER 89 Cb 0.00 -1.04 0.01 0.00 -0.75 0.00 0.00 64.21 62.43 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 -0.04 2.00 -3.99 -3.46 3.41 -1.26 -4.92 113.62 105.36 1c20 n SER 90 Ca 0.00 -1.50 -0.17 0.00 -0.26 0.00 0.00 58.87 56.94 1c20 n SER 90 Cb 0.02 0.40 -0.15 0.00 -0.26 0.00 0.00 64.21 64.22 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 -2.14 0.56 -0.11 -1.33 1.01 -1.26 -5.04 121.20 112.89 1c20 s ILE 91 Ca 0.18 -0.30 0.18 0.00 0.00 0.00 0.00 60.65 60.70 1c20 s ILE 91 Cb 0.16 -0.47 0.42 0.00 0.01 0.00 0.00 42.46 42.58 1c20 s ILE 91 CO 0.46 0.16 1.19 0.35 0.00 0.00 0.00 174.94 177.10 1c20 n THR 92 N 2.90 1.13 -2.48 2.92 -2.24 -1.26 -4.77 114.28 110.49 1c20 n THR 92 Ca -0.13 -2.12 -0.00 0.00 -2.27 0.00 0.00 64.05 59.53 1c20 n THR 92 Cb 0.58 0.35 0.02 0.00 -2.10 0.00 0.00 70.33 69.18 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 -0.35 0.39 -0.17 3.42 2.88 -1.26 -4.92 113.62 113.61 1c20 n SER 93 Ca 0.13 -2.03 -0.02 0.00 -1.33 0.00 0.00 58.87 55.62 1c20 n SER 93 Cb 0.91 -0.09 0.20 0.00 -0.75 0.00 0.00 64.21 64.48 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 1.12 1.30 -0.69 -1.46 0.00 -2.00 -2.53 119.26 114.99 1c20 h ALA 94 Ca -0.31 -0.15 0.08 0.00 0.00 0.00 0.00 54.91 54.53 1c20 h ALA 94 Cb 1.59 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 19.05 1c20 h ALA 94 CO -0.00 0.53 0.36 0.00 0.00 0.00 0.00 179.25 180.15 1c20 h ALA 95 N 1.40 0.94 -0.68 0.00 0.00 -1.92 0.32 119.26 119.32 1c20 h ALA 95 Ca 0.22 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.17 1c20 h ALA 95 Cb 0.13 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1c20 h ALA 95 CO -0.02 0.00 0.45 0.35 0.00 0.00 0.00 179.25 180.03 1c20 h PHE 96 N 0.65 0.86 -0.46 0.00 3.04 -1.86 -0.88 116.94 118.29 1c20 h PHE 96 Ca 0.33 0.02 -0.14 0.00 3.98 0.00 0.00 57.97 62.16 1c20 h PHE 96 Cb 0.28 -0.29 -0.01 0.00 2.56 0.00 0.00 35.95 38.49 1c20 h PHE 96 CO -0.09 0.54 -0.27 1.15 -2.02 0.00 0.00 178.31 177.62 1c20 h THR 97 N 0.93 1.27 0.00 4.41 2.02 -1.09 -2.92 112.91 117.52 1c20 h THR 97 Ca 0.25 -1.43 -0.00 0.00 0.77 0.00 0.00 66.41 66.00 1c20 h THR 97 Cb -0.11 1.19 0.00 0.00 -1.74 0.00 0.00 68.15 67.50 1c20 h THR 97 CO -0.05 0.49 -0.00 -0.07 0.37 0.00 0.00 175.52 176.26 1c20 h LEU 98 N 0.84 -0.00 -1.47 2.58 3.38 0.09 -2.33 115.31 118.38 1c20 h LEU 98 Ca 0.10 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1c20 h LEU 98 Cb 0.85 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 1c20 h LEU 98 CO 0.08 0.14 0.23 0.08 0.09 0.00 0.00 178.44 179.06 1c20 h ARG 99 N -0.15 0.58 0.00 1.13 0.11 -1.20 -1.48 114.38 113.37 1c20 h ARG 99 Ca -0.00 -0.05 -0.00 0.00 0.10 0.00 0.00 59.98 60.02 1c20 h ARG 99 Cb 0.15 -0.12 0.00 0.00 1.11 0.00 0.00 29.97 31.11 1c20 h ARG 99 CO 0.00 0.44 -0.02 0.00 0.10 0.00 0.00 179.97 180.49 1c20 h THR 100 N 0.59 1.64 -0.42 0.08 1.03 -1.38 -2.81 112.91 111.64 1c20 h THR 100 Ca 0.15 -1.92 -0.07 0.00 -0.01 0.00 0.00 66.41 64.57 1c20 h THR 100 Cb 0.02 2.94 -0.02 0.00 -1.07 0.00 0.00 68.15 70.03 1c20 h THR 100 CO -0.02 0.50 -0.02 0.06 -0.01 0.00 0.00 175.52 176.03 1c20 h GLN 101 N -0.79 0.69 0.07 0.00 3.07 -1.40 -1.16 115.11 115.58 1c20 h GLN 101 Ca -0.00 -0.18 -0.00 0.00 0.09 0.00 0.00 58.65 58.55 1c20 h GLN 101 Cb 0.83 -0.08 0.00 0.00 0.08 0.00 0.00 27.48 28.31 1c20 h GLN 101 CO 0.00 0.72 -0.03 -0.92 0.09 0.00 0.00 178.83 178.69 1c20 h TYR 102 N 0.65 -0.09 0.00 0.06 5.03 -1.35 -1.96 116.97 119.31 1c20 h TYR 102 Ca 0.13 -0.00 -0.04 0.00 2.58 0.00 0.00 58.73 61.40 1c20 h TYR 102 Cb 0.43 0.03 -0.01 0.00 1.55 0.00 0.00 36.73 38.73 1c20 h TYR 102 CO 0.02 -0.06 -0.19 0.52 -1.32 0.00 0.00 178.16 177.13 1c20 h MET 103 N -0.10 0.00 -1.01 1.82 2.86 -1.22 1.28 114.93 118.56 1c20 h MET 103 Ca -0.01 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.64 1c20 h MET 103 Cb 0.07 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.68 1c20 h MET 103 CO 0.01 0.19 0.66 -0.22 1.06 0.00 0.00 176.91 178.62 1c20 h LYS 104 N 0.00 1.33 0.00 1.72 1.63 -0.42 -3.37 116.57 117.46 1c20 h LYS 104 Ca -0.00 -0.08 0.00 0.00 -0.85 0.00 0.00 60.65 59.72 1c20 h LYS 104 Cb 0.37 -0.30 0.00 0.00 -0.60 0.00 0.00 32.23 31.70 1c20 h LYS 104 CO 0.02 0.88 0.00 0.66 -3.45 0.00 0.00 179.45 177.57 1c20 n TYR 105 N -4.38 0.00 0.24 1.91 4.01 -1.07 -4.90 117.16 112.98 1c20 n TYR 105 Ca 0.12 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.92 1c20 n TYR 105 Cb 0.01 0.01 -0.08 0.00 -0.31 0.00 0.00 39.34 38.97 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 0.25 0.01 7.72 4.77 0.43 -4.29 117.00 125.89 1c20 n LEU 106 Ca 0.00 -0.22 -0.08 0.00 -0.03 0.00 0.00 56.01 55.67 1c20 n LEU 106 Cb 0.26 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.43 1c20 n LEU 106 CO 0.00 0.06 0.52 0.22 -1.33 0.00 0.00 177.39 176.86 1c20 h TYR 107 N 0.00 0.67 -0.15 -1.77 5.03 -1.56 0.70 116.97 119.88 1c20 h TYR 107 Ca 0.00 -0.22 -0.22 0.00 2.58 0.00 0.00 58.73 60.87 1c20 h TYR 107 Cb 0.43 -0.13 0.01 0.00 1.55 0.00 0.00 36.73 38.59 1c20 h TYR 107 CO 0.00 0.93 -0.77 -1.00 -1.32 0.00 0.00 178.16 176.01 1c20 h PRO 108 N 0.43 0.77 -0.00 1.82 0.14 -1.85 -1.46 132.00 131.83 1c20 h PRO 108 Ca 0.02 -0.62 -0.00 0.00 0.14 0.00 0.00 66.00 65.54 1c20 h PRO 108 Cb 1.03 0.13 -0.00 0.00 0.14 0.00 0.00 31.00 32.30 1c20 h PRO 108 CO 0.09 1.23 0.00 -0.92 0.14 0.00 0.00 178.00 178.55 1c20 h TYR 109 N 0.53 0.01 -0.21 1.56 3.20 -1.73 1.59 116.97 121.92 1c20 h TYR 109 Ca -0.05 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.86 1c20 h TYR 109 Cb 1.39 -0.00 -0.04 0.00 1.54 0.00 0.00 36.73 39.62 1c20 h TYR 109 CO 0.08 0.27 -0.06 1.49 -1.64 0.00 0.00 178.16 178.31 1c20 h GLU 110 N -0.25 -0.00 -0.50 1.82 4.57 -0.89 0.49 114.58 119.81 1c20 h GLU 110 Ca 0.00 0.00 -0.13 0.00 -1.18 0.00 0.00 59.36 58.05 1c20 h GLU 110 Cb 0.26 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.84 1c20 h GLU 110 CO 0.00 -0.00 -0.19 0.00 -1.18 0.00 0.00 179.01 177.63 1c20 h GLU 112 N 0.88 0.01 -0.33 0.00 4.57 0.29 2.50 114.58 122.50 1c20 h GLU 112 Ca 0.12 -0.00 -0.18 0.00 -1.18 0.00 0.00 59.36 58.12 1c20 h GLU 112 Cb 0.77 -0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.36 1c20 h GLU 112 CO 0.06 0.20 -0.48 0.87 -1.18 0.00 0.00 179.01 178.48 1c20 h LYS 113 N -0.19 0.91 0.00 1.92 1.79 -0.94 -3.38 116.57 116.68 1c20 h LYS 113 Ca 0.00 -0.54 0.00 0.00 -2.18 0.00 0.00 60.65 57.93 1c20 h LYS 113 Cb 0.20 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 30.89 1c20 h LYS 113 CO -0.00 1.18 -0.68 1.63 -1.08 0.00 0.00 179.45 180.50 1c20 n LYS 114 N -4.03 2.43 -3.82 3.15 4.76 -0.36 -5.03 118.16 115.25 1c20 n LYS 114 Ca -0.04 -0.00 -0.23 0.00 -2.87 0.00 0.00 58.31 55.17 1c20 n LYS 114 Cb 0.60 -0.85 0.01 0.00 -1.84 0.00 0.00 35.03 32.95 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 -1.34 -0.76 -0.38 4.39 2.85 0.84 -4.84 115.26 116.02 1c20 n ASN 115 Ca -0.00 -0.91 -0.02 0.00 -0.11 0.00 0.00 54.58 53.54 1c20 n ASN 115 Cb 0.02 -3.58 0.11 0.00 1.24 0.00 0.00 39.78 37.57 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 -1.85 1.16 0.00 1.20 3.38 -1.77 -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 57.32 1c20 h LEU 116 Cb 1.37 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1c20 h LEU 116 CO 0.59 0.84 0.00 -1.20 0.09 0.00 0.00 178.44 178.77 1c20 n SER 117 N -4.38 0.00 -4.22 -0.43 7.64 -1.26 -5.08 113.62 105.89 1c20 n SER 117 Ca 0.12 -0.98 -0.18 0.00 1.01 0.00 0.00 58.87 58.84 1c20 n SER 117 Cb 0.01 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.10 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 -2.85 1.24 0.65 0.44 -4.23 -1.26 -4.96 115.64 104.67 1c20 s THR 118 Ca 0.00 -1.61 0.26 0.00 -1.18 0.00 0.00 61.69 59.16 1c20 s THR 118 Cb 0.00 -1.40 0.28 0.00 1.34 0.00 0.00 72.50 72.72 1c20 s THR 118 CO 0.00 -0.38 1.77 1.55 -0.54 0.00 0.00 174.62 177.02 1c20 h PRO 119 N 3.72 0.00 0.54 3.99 0.13 -2.01 -0.82 132.00 137.55 1c20 h PRO 119 Ca -0.40 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.70 1c20 h PRO 119 Cb 1.19 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.33 1c20 h PRO 119 CO 0.48 0.00 -0.26 0.00 -0.23 0.00 0.00 178.00 177.99 1c20 h ALA 120 N 1.15 -0.73 0.00 -0.56 0.00 -2.01 -2.93 119.26 114.19 1c20 h ALA 120 Ca 0.06 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1c20 h ALA 120 Cb 1.02 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 1c20 h ALA 120 CO -0.00 -0.68 -0.02 1.05 0.00 0.00 0.00 179.25 179.60 1c20 h GLU 121 N -1.19 0.00 -0.53 0.00 -0.00 -1.77 -2.59 114.58 108.49 1c20 h GLU 121 Ca -0.07 0.00 -0.02 0.00 -0.00 0.00 0.00 59.36 59.27 1c20 h GLU 121 Cb 0.56 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 29.29 1c20 h GLU 121 CO 0.12 0.02 0.26 1.25 -0.00 0.00 0.00 179.01 180.67 1c20 h LEU 122 N 0.00 0.69 -0.78 3.06 5.85 -1.16 0.45 115.31 123.43 1c20 h LEU 122 Ca -0.00 -0.12 0.01 0.00 0.84 0.00 0.00 57.88 58.61 1c20 h LEU 122 Cb 0.50 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.32 1c20 h LEU 122 CO 0.00 0.62 0.51 1.56 -0.34 0.00 0.00 178.44 180.80 1c20 h GLN 123 N 0.72 1.02 -0.04 1.25 1.08 -1.27 0.26 115.11 118.13 1c20 h GLN 123 Ca 0.18 -0.06 -0.05 0.00 -1.45 0.00 0.00 58.65 57.27 1c20 h GLN 123 Cb 0.10 -0.23 -0.01 0.00 -0.05 0.00 0.00 27.48 27.30 1c20 h GLN 123 CO -0.02 0.67 -0.23 0.00 -0.95 0.00 0.00 178.83 178.30 1c20 h ALA 124 N 1.28 1.54 -0.46 3.87 0.00 -1.29 -0.89 119.26 123.31 1c20 h ALA 124 Ca 0.28 -0.23 -0.14 0.00 0.00 0.00 0.00 54.91 54.82 1c20 h ALA 124 Cb -0.12 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1c20 h ALA 124 CO -0.06 0.34 -0.26 0.00 0.00 0.00 0.00 179.25 179.27 1c20 h ALA 125 N 1.70 0.66 -0.45 0.00 0.00 0.30 1.00 119.26 122.47 1c20 h ALA 125 Ca 0.01 -0.41 -0.14 0.00 0.00 0.00 0.00 54.91 54.37 1c20 h ALA 125 Cb 0.45 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1c20 h ALA 125 CO 0.03 0.68 -0.27 0.82 0.00 0.00 0.00 179.25 180.51 1c20 h ILE 126 N 0.84 1.27 0.00 0.00 2.04 0.04 -2.72 117.51 118.98 1c20 h ILE 126 Ca 0.10 -1.44 -0.09 0.00 1.00 0.00 0.00 64.86 64.43 1c20 h ILE 126 Cb 0.85 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 38.12 1c20 h ILE 126 CO 0.07 0.49 -0.42 0.44 0.00 0.00 0.00 178.15 178.74 1c20 h ASP 127 N 0.83 0.00 -0.74 1.72 3.32 -1.03 -3.25 116.42 117.27 1c20 h ASP 127 Ca 0.09 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.15 1c20 h ASP 127 Cb 0.86 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.37 1c20 h ASP 127 CO 0.08 0.42 0.49 1.23 -1.72 0.00 0.00 179.24 179.74 1c20 h GLY 128 N 3.03 1.05 1.63 2.75 0.00 0.14 -1.40 103.07 110.26 1c20 h GLY 128 Ca -0.00 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 46.94 1c20 h GLY 128 CO 0.05 0.39 0.25 3.45 0.00 0.00 0.00 176.54 180.68 1c20 h ASN 129 N 1.01 0.44 0.00 0.19 -1.07 -1.57 -3.50 115.58 111.07 1c20 h ASN 129 Ca 0.27 -0.01 0.00 0.00 0.07 0.00 0.00 56.30 56.63 1c20 h ASN 129 Cb -0.12 -0.11 0.00 0.00 -2.07 0.00 0.00 38.32 36.03 1c20 h ASN 129 CO -0.06 0.32 0.00 -1.14 0.07 0.00 0.00 177.43 176.62