#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 2.58 0.08 1.61 -0.00 -1.26 -5.02 118.94 116.93 1c20 s TRP 4 Ca 0.00 1.35 0.01 0.00 -0.00 0.00 0.00 56.10 57.46 1c20 s TRP 4 Cb 0.00 -3.77 -0.04 0.00 -0.00 0.00 0.00 33.47 29.66 1c20 s TRP 4 CO 0.00 -2.53 -0.05 -1.54 -0.00 0.00 0.00 176.95 172.83 1c20 s SER 5 N -0.74 0.87 0.22 5.86 1.04 -1.26 -5.04 113.70 114.65 1c20 s SER 5 Ca 0.62 -1.00 -0.07 0.00 0.48 0.00 0.00 55.95 55.97 1c20 s SER 5 Cb -0.40 0.14 0.17 0.00 0.10 0.00 0.00 66.02 66.03 1c20 s SER 5 CO 0.50 -0.52 1.79 2.19 0.98 0.00 0.00 173.24 178.18 1c20 h PHE 6 N 3.04 1.22 0.00 5.02 -5.15 -2.02 -1.77 116.94 117.28 1c20 h PHE 6 Ca -0.35 -0.09 -0.00 0.00 -0.20 0.00 0.00 57.97 57.33 1c20 h PHE 6 Cb 1.15 -0.37 -0.00 0.00 0.22 0.00 0.00 35.95 36.96 1c20 h PHE 6 CO 0.56 0.92 -0.01 1.05 -2.00 0.00 0.00 178.31 178.83 1c20 h GLU 7 N 1.18 0.00 -0.00 6.09 4.11 -1.99 -2.90 114.58 121.06 1c20 h GLU 7 Ca 0.27 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.70 1c20 h GLU 7 Cb 0.20 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 1c20 h GLU 7 CO -0.02 0.01 0.00 1.49 0.07 0.00 0.00 179.01 180.55 1c20 h GLU 8 N 0.00 0.00 0.00 1.06 4.57 -1.72 -1.79 114.58 116.70 1c20 h GLU 8 Ca -0.00 -0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.15 1c20 h GLU 8 Cb 0.27 -0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.85 1c20 h GLU 8 CO 0.00 0.07 -0.16 1.96 -1.18 0.00 0.00 179.01 179.70 1c20 h GLN 9 N -0.07 0.00 0.40 1.92 1.08 -1.61 -3.15 115.11 113.68 1c20 h GLN 9 Ca 0.00 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.18 1c20 h GLN 9 Cb 0.07 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.50 1c20 h GLN 9 CO -0.00 0.16 -0.19 0.35 -0.95 0.00 0.00 178.83 178.20 1c20 h PHE 10 N 0.00 -0.50 -0.09 2.96 3.57 -1.20 -2.75 116.94 118.94 1c20 h PHE 10 Ca -0.00 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 1c20 h PHE 10 Cb 0.66 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.56 1c20 h PHE 10 CO 0.00 -0.18 0.02 1.57 -2.23 0.00 0.00 178.31 177.49 1c20 h LYS 11 N -0.81 0.13 -0.91 1.11 2.10 -1.44 -0.98 116.57 115.77 1c20 h LYS 11 Ca -0.05 -0.01 0.01 0.00 -2.00 0.00 0.00 60.65 58.59 1c20 h LYS 11 Cb 0.54 -0.03 -0.05 0.00 -0.90 0.00 0.00 32.23 31.79 1c20 h LYS 11 CO 0.09 0.12 0.60 1.96 -2.00 0.00 0.00 179.45 180.23 1c20 h GLN 12 N 0.13 1.20 -1.00 0.07 1.08 -1.47 -1.21 115.11 113.90 1c20 h GLN 12 Ca 0.03 -0.07 0.02 0.00 -1.45 0.00 0.00 58.65 57.18 1c20 h GLN 12 Cb 0.05 -0.27 -0.05 0.00 -0.05 0.00 0.00 27.48 27.16 1c20 h GLN 12 CO -0.00 0.79 0.66 0.28 -0.95 0.00 0.00 178.83 179.61 1c20 h VAL 13 N 1.23 1.22 -1.01 -0.54 2.07 -0.88 -1.09 116.25 117.26 1c20 h VAL 13 Ca 0.34 -0.45 0.12 0.00 0.82 0.00 0.00 66.70 67.52 1c20 h VAL 13 Cb -0.14 -0.21 -0.08 0.00 -1.52 0.00 0.00 31.29 29.33 1c20 h VAL 13 CO -0.07 0.24 0.63 -0.09 0.02 0.00 0.00 177.57 178.30 1c20 h ARG 14 N 1.32 0.98 -0.21 1.57 2.43 -1.17 0.10 114.38 119.41 1c20 h ARG 14 Ca 0.38 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.47 1c20 h ARG 14 Cb -0.08 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.24 1c20 h ARG 14 CO -0.10 0.65 0.04 -0.56 -1.51 0.00 0.00 179.97 178.49 1c20 h GLN 15 N 1.01 0.29 -0.26 0.20 3.07 -1.08 -1.78 115.11 116.56 1c20 h GLN 15 Ca 0.49 -0.04 -0.02 0.00 0.09 0.00 0.00 58.65 59.18 1c20 h GLN 15 Cb 0.47 -0.06 -0.01 0.00 0.08 0.00 0.00 27.48 27.96 1c20 h GLN 15 CO -0.26 0.28 0.09 -0.07 0.09 0.00 0.00 178.83 178.96 1c20 h LEU 16 N 0.29 0.37 -1.00 0.06 4.07 -0.69 -2.44 115.31 115.97 1c20 h LEU 16 Ca 0.07 -0.19 0.01 0.00 0.08 0.00 0.00 57.88 57.85 1c20 h LEU 16 Cb 0.14 -0.10 -0.05 0.00 1.08 0.00 0.00 40.66 41.73 1c20 h LEU 16 CO -0.00 0.47 0.66 1.88 -1.08 0.00 0.00 178.44 180.37 1c20 h TYR 17 N 0.26 1.27 0.00 1.13 -1.99 -1.21 -1.29 116.97 115.14 1c20 h TYR 17 Ca 0.08 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.84 1c20 h TYR 17 Cb 0.22 -0.43 0.00 0.00 2.00 0.00 0.00 36.73 38.52 1c20 h TYR 17 CO 0.00 0.80 0.00 0.39 -0.00 0.00 0.00 178.16 179.35 1c20 n GLU 18 N -4.38 0.18 -0.37 4.88 1.02 -0.72 -3.29 120.64 117.97 1c20 n GLU 18 Ca 0.12 0.16 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 1.04 -1.86 -3.67 2.04 -0.78 -3.46 117.51 110.83 1c20 h ILE 19 Ca 0.00 -0.39 0.26 0.00 1.00 0.00 0.00 64.86 65.73 1c20 h ILE 19 Cb 0.16 -0.19 -0.10 0.00 -0.74 0.00 0.00 36.82 35.95 1c20 h ILE 19 CO 0.00 0.21 0.67 0.21 0.00 0.00 0.00 178.15 179.24 1c20 s ASN 20 N -5.85 -0.11 -0.26 1.72 3.84 -1.21 -5.00 114.94 108.07 1c20 s ASN 20 Ca -0.12 -0.26 0.07 0.00 0.21 0.00 0.00 52.86 52.76 1c20 s ASN 20 Cb 0.21 0.31 0.59 0.00 -0.55 0.00 0.00 41.25 41.81 1c20 s ASN 20 CO 0.81 -0.58 1.59 -0.67 -2.79 0.00 0.00 177.10 175.46 1c20 n ASP 21 N -0.49 4.22 -4.68 -4.21 2.03 -1.26 -4.83 116.55 107.33 1c20 n ASP 21 Ca -0.07 -2.97 -0.42 0.00 0.52 0.00 0.00 54.79 51.85 1c20 n ASP 21 Cb 0.62 -0.70 -0.03 0.00 -0.72 0.00 0.00 41.12 40.29 1c20 n ASP 21 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1c20 n ASP 22 N -0.08 4.13 -0.21 1.67 -0.08 -1.26 -4.87 116.55 115.86 1c20 n ASP 22 Ca 0.33 0.96 0.02 0.00 -1.51 0.00 0.00 54.79 54.59 1c20 n ASP 22 Cb 1.19 -1.55 0.27 0.00 2.34 0.00 0.00 41.12 43.37 1c20 n ASP 22 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1c20 h PRO 23 N 9.23 0.93 -0.00 -0.67 0.10 -1.98 -1.51 132.00 138.10 1c20 h PRO 23 Ca -0.47 -0.06 0.00 0.00 0.10 0.00 0.00 66.00 65.57 1c20 h PRO 23 Cb 1.23 -0.21 -0.00 0.00 0.10 0.00 0.00 31.00 32.12 1c20 h PRO 23 CO 0.95 0.62 0.00 0.87 0.10 0.00 0.00 178.00 180.53 1c20 h LYS 24 N 0.96 0.00 0.05 1.05 1.57 -1.97 0.77 116.57 119.00 1c20 h LYS 24 Ca 0.28 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.06 1c20 h LYS 24 Cb -0.04 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.27 1c20 h LYS 24 CO -0.07 0.00 -0.02 -0.09 -0.57 0.00 0.00 179.45 178.70 1c20 h ARG 25 N -0.00 -0.06 -0.01 3.15 2.43 -1.88 0.88 114.38 118.89 1c20 h ARG 25 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1c20 h ARG 25 Cb 0.00 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.57 1c20 h ARG 25 CO -0.00 0.20 0.00 -0.22 -1.51 0.00 0.00 179.97 178.44 1c20 h LYS 26 N -0.32 0.01 -0.24 0.20 3.64 -1.19 0.20 116.57 118.87 1c20 h LYS 26 Ca -0.01 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1c20 h LYS 26 Cb 0.29 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 1c20 h LYS 26 CO 0.01 0.01 0.12 1.49 -2.27 0.00 0.00 179.45 178.81 1c20 h GLU 27 N 0.01 0.34 -0.02 1.90 4.81 0.62 -1.81 114.58 120.43 1c20 h GLU 27 Ca 0.00 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1c20 h GLU 27 Cb 0.00 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.32 1c20 h GLU 27 CO -0.00 0.33 0.01 0.35 -0.73 0.00 0.00 179.01 178.97 1c20 h PHE 28 N 0.26 0.02 -0.28 0.92 3.04 0.11 -0.31 116.94 120.69 1c20 h PHE 28 Ca 0.08 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.04 1c20 h PHE 28 Cb 0.10 -0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.59 1c20 h PHE 28 CO -0.03 0.01 0.19 -0.07 -2.02 0.00 0.00 178.31 176.39 1c20 h LEU 29 N 0.02 0.33 -1.13 0.59 3.38 -0.52 0.31 115.31 118.28 1c20 h LEU 29 Ca 0.01 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1c20 h LEU 29 Cb 0.00 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 1c20 h LEU 29 CO -0.00 0.24 0.59 -0.78 0.09 0.00 0.00 178.44 178.57 1c20 h ASP 30 N 0.39 1.01 0.26 -0.43 1.82 -1.17 -0.55 116.42 117.75 1c20 h ASP 30 Ca 0.10 -0.02 -0.01 0.00 -0.39 0.00 0.00 57.03 56.71 1c20 h ASP 30 Cb -0.04 -0.25 0.00 0.00 0.68 0.00 0.00 39.33 39.72 1c20 h ASP 30 CO -0.02 0.73 -0.13 -0.78 -1.61 0.00 0.00 179.24 177.43 1c20 h ASP 31 N 1.19 -0.30 -0.12 2.28 1.82 -0.13 -2.69 116.42 118.47 1c20 h ASP 31 Ca 0.33 -0.23 0.00 0.00 -0.39 0.00 0.00 57.03 56.74 1c20 h ASP 31 Cb -0.12 0.08 -0.01 0.00 0.68 0.00 0.00 39.33 39.96 1c20 h ASP 31 CO -0.07 0.13 0.08 0.25 -1.61 0.00 0.00 179.24 178.01 1c20 h LEU 32 N -0.80 0.14 -1.27 2.28 5.85 -0.28 -2.36 115.31 118.87 1c20 h LEU 32 Ca -0.04 -0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.76 1c20 h LEU 32 Cb 0.51 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.45 1c20 h LEU 32 CO 0.06 0.10 0.54 -0.26 -0.34 0.00 0.00 178.44 178.54 1c20 h PHE 33 N 0.16 0.89 -0.15 1.25 0.04 -1.19 -2.50 116.94 115.45 1c20 h PHE 33 Ca 0.04 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.84 1c20 h PHE 33 Cb -0.02 -0.29 -0.01 0.00 2.20 0.00 0.00 35.95 37.84 1c20 h PHE 33 CO -0.07 0.44 0.10 0.66 -0.60 0.00 0.00 178.31 178.84 1c20 h SER 34 N 0.86 0.17 0.47 2.17 4.64 -1.07 0.30 113.55 121.08 1c20 h SER 34 Ca 0.37 -0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.66 1c20 h SER 34 Cb 0.31 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1c20 h SER 34 CO -0.14 0.12 -0.23 0.15 -0.87 0.00 0.00 176.83 175.87 1c20 h PHE 35 N 0.20 -0.59 0.00 4.77 3.04 -1.27 -1.83 116.94 121.26 1c20 h PHE 35 Ca 0.05 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.99 1c20 h PHE 35 Cb -0.02 0.19 0.00 0.00 2.56 0.00 0.00 35.95 38.68 1c20 h PHE 35 CO -0.07 -0.36 0.00 0.00 -2.02 0.00 0.00 178.31 175.86 1c20 n MET 36 N -5.36 0.10 0.04 1.11 0.00 -1.09 -2.95 117.12 108.97 1c20 n MET 36 Ca -0.12 0.36 0.02 0.00 0.00 0.00 0.00 57.70 57.97 1c20 n MET 36 Cb 0.27 -1.69 0.11 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 -1.87 0.03 -0.21 3.17 7.27 0.10 -2.12 117.38 123.75 1c20 n GLN 37 Ca 0.02 0.41 0.01 0.00 0.07 0.00 0.00 57.00 57.52 1c20 n GLN 37 Cb 0.18 -1.75 0.10 0.00 2.41 0.00 0.00 30.24 31.18 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 0.10 -0.28 3.69 3.64 -1.70 0.66 116.57 122.68 1c20 h LYS 38 Ca 0.00 -0.01 -0.15 0.00 -1.27 0.00 0.00 60.65 59.22 1c20 h LYS 38 Cb 0.33 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 1c20 h LYS 38 CO 0.00 0.07 -0.44 0.00 -2.27 0.00 0.00 179.45 176.81 1c20 h ARG 39 N 0.11 0.72 0.00 1.90 2.47 -1.75 -3.47 114.38 114.36 1c20 h ARG 39 Ca 0.33 -0.40 0.00 0.00 -1.26 0.00 0.00 59.98 58.65 1c20 h ARG 39 Cb 0.54 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.88 1c20 h ARG 39 CO -0.55 1.02 0.00 0.41 0.56 0.00 0.00 179.97 181.40 1c20 n GLY 40 N 0.12 0.65 3.66 0.04 0.00 0.23 -5.08 105.19 104.82 1c20 n GLY 40 Ca -0.02 0.00 -0.25 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 -2.10 3.67 0.00 2.61 -4.23 -1.26 -4.98 115.64 109.35 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 -2.88 0.00 0.00 1.34 0.00 0.00 72.50 70.96 1c20 s THR 41 CO 0.00 -0.19 0.00 -0.81 -0.54 0.00 0.00 174.62 173.08 1c20 n PRO 42 N -0.38 1.97 0.00 3.99 -0.04 -1.26 -4.77 135.00 134.51 1c20 n PRO 42 Ca -0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 1c20 n PRO 42 Cb 0.56 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.02 1c20 n PRO 42 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 1c20 n ILE 43 N -0.38 0.00 -0.07 0.52 0.13 -1.26 -4.98 119.36 113.32 1c20 n ILE 43 Ca 0.00 0.00 -0.11 0.00 -1.10 0.00 0.00 62.75 61.54 1c20 n ILE 43 Cb 0.00 -0.03 -0.08 0.00 -0.84 0.00 0.00 39.64 38.69 1c20 n ILE 43 CO 0.00 0.00 0.00 -1.13 2.80 0.00 0.00 176.55 178.22 1c20 h ASN 44 N 0.00 0.00 -4.98 9.51 -0.73 -1.94 -3.49 115.58 113.95 1c20 h ASN 44 Ca 0.00 -0.53 -0.03 0.00 1.87 0.00 0.00 56.30 57.61 1c20 h ASN 44 Cb 0.00 0.00 -0.14 0.00 0.27 0.00 0.00 38.32 38.45 1c20 h ASN 44 CO 0.00 0.94 0.21 -0.60 -0.37 0.00 0.00 177.43 177.62 1c20 s ARG 45 N -2.08 1.19 -0.49 6.67 3.52 -1.26 -5.09 118.95 121.42 1c20 s ARG 45 Ca -0.16 -0.22 0.04 0.00 -0.13 0.00 0.00 55.73 55.26 1c20 s ARG 45 Cb 0.00 0.55 0.17 0.00 -1.56 0.00 0.00 34.95 34.11 1c20 s ARG 45 CO 0.44 -0.48 0.37 -0.51 -0.81 0.00 0.00 175.30 174.31 1c20 s LEU 46 N -2.22 2.37 1.09 -0.88 1.43 -1.26 -5.11 118.68 114.11 1c20 s LEU 46 Ca -0.03 -3.20 -0.12 0.00 -1.03 0.00 0.00 54.13 49.75 1c20 s LEU 46 Cb -0.01 -0.79 0.24 0.00 0.03 0.00 0.00 46.19 45.67 1c20 s LEU 46 CO -0.05 -0.16 1.06 -2.84 0.23 0.00 0.00 176.35 174.58 1c20 s PRO 47 N -0.27 -0.36 -0.11 1.29 0.02 -1.26 -4.86 135.00 129.45 1c20 s PRO 47 Ca 0.29 0.98 0.02 0.00 0.02 0.00 0.00 61.00 62.30 1c20 s PRO 47 Cb -0.02 -1.61 -0.01 0.00 0.02 0.00 0.00 34.50 32.88 1c20 s PRO 47 CO -0.17 -3.39 -0.17 0.42 -0.33 0.00 0.00 177.00 173.36 1c20 s ILE 48 N -2.55 2.68 -0.52 2.83 -1.09 -1.26 -3.19 121.20 118.10 1c20 s ILE 48 Ca 0.68 -0.80 -0.17 0.00 -2.23 0.00 0.00 60.65 58.12 1c20 s ILE 48 Cb -0.24 -2.09 0.09 0.00 -1.58 0.00 0.00 42.46 38.64 1c20 s ILE 48 CO 0.62 0.54 0.55 -0.04 -1.23 0.00 0.00 174.94 175.38 1c20 s MET 49 N 0.27 3.03 1.71 2.79 -1.94 0.82 -4.92 119.30 121.06 1c20 s MET 49 Ca -0.12 -1.30 0.00 0.00 -1.71 0.00 0.00 55.69 52.56 1c20 s MET 49 Cb -0.16 -4.19 0.00 0.00 2.01 0.00 0.00 34.83 32.49 1c20 s MET 49 CO 0.06 -1.26 0.00 0.00 -0.01 0.00 0.00 175.02 173.82 1c20 n ALA 50 N 5.72 0.00 0.45 3.03 0.00 -1.26 0.15 120.51 128.60 1c20 n ALA 50 Ca -0.11 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.38 1c20 n ALA 50 Cb 0.43 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.84 1c20 n ALA 50 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1c20 n LYS 51 N 0.00 3.41 -3.48 0.00 2.85 -1.26 -5.00 118.16 114.68 1c20 n LYS 51 Ca 0.00 -0.14 -0.22 0.00 -1.05 0.00 0.00 58.31 56.90 1c20 n LYS 51 Cb 0.00 -0.99 -0.01 0.00 -0.65 0.00 0.00 35.03 33.39 1c20 n LYS 51 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 1c20 s SER 52 N -1.79 6.17 -0.08 -5.58 1.04 0.39 -5.10 113.70 108.75 1c20 s SER 52 Ca 0.05 0.22 0.04 0.00 0.48 0.00 0.00 55.95 56.74 1c20 s SER 52 Cb 0.07 -1.77 -0.01 0.00 0.10 0.00 0.00 66.02 64.41 1c20 s SER 52 CO 0.36 -0.33 -0.19 -0.69 0.98 0.00 0.00 173.24 173.37 1c20 s VAL 53 N -2.25 2.55 -0.65 5.02 1.01 -1.26 -0.13 120.40 124.69 1c20 s VAL 53 Ca 0.41 -0.87 -0.26 0.00 0.00 0.00 0.00 61.98 61.25 1c20 s VAL 53 Cb -0.09 -1.99 -0.08 0.00 0.00 0.00 0.00 36.38 34.21 1c20 s VAL 53 CO 0.34 0.56 2.27 -0.22 0.00 0.00 0.00 175.10 178.05 1c20 s LEU 54 N -0.07 3.19 -0.38 3.92 2.96 -1.19 -4.89 118.68 122.23 1c20 s LEU 54 Ca -0.05 0.45 -0.29 0.00 -0.22 0.00 0.00 54.13 54.03 1c20 s LEU 54 Cb -0.14 -2.53 -0.00 0.00 0.50 0.00 0.00 46.19 44.02 1c20 s LEU 54 CO 0.04 -3.10 1.53 -0.62 -1.32 0.00 0.00 176.35 172.88 1c20 s ASP 55 N 10.72 6.22 0.66 3.68 -1.08 -1.26 -4.84 116.67 130.77 1c20 s ASP 55 Ca 0.88 1.01 0.34 0.00 -0.52 0.00 0.00 52.55 54.27 1c20 s ASP 55 Cb -0.14 -2.54 1.87 0.00 -1.46 0.00 0.00 42.92 40.65 1c20 s ASP 55 CO 0.17 -1.50 2.05 0.17 0.52 0.00 0.00 175.17 176.58 1c20 h LEU 56 N 12.57 0.00 -0.76 -1.34 8.10 -1.99 0.22 115.31 132.11 1c20 h LEU 56 Ca -0.30 0.00 -0.08 0.00 0.11 0.00 0.00 57.88 57.62 1c20 h LEU 56 Cb 1.13 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 41.32 1c20 h LEU 56 CO 1.06 0.00 0.09 0.22 -4.11 0.00 0.00 178.44 175.71 1c20 h TYR 57 N 0.00 1.10 -1.01 0.17 5.03 -2.00 -2.83 116.97 117.44 1c20 h TYR 57 Ca 0.00 -0.15 0.01 0.00 2.58 0.00 0.00 58.73 61.17 1c20 h TYR 57 Cb 0.47 -0.30 -0.05 0.00 1.55 0.00 0.00 36.73 38.39 1c20 h TYR 57 CO 0.00 0.93 0.66 1.49 -1.32 0.00 0.00 178.16 179.92 1c20 h GLU 58 N 0.97 1.33 -0.57 1.82 4.81 -1.34 -1.99 114.58 119.61 1c20 h GLU 58 Ca 0.19 -0.08 0.01 0.00 -0.13 0.00 0.00 59.36 59.35 1c20 h GLU 58 Cb 0.43 -0.30 -0.03 0.00 0.63 0.00 0.00 28.75 29.48 1c20 h GLU 58 CO 0.01 0.88 0.37 1.25 -0.73 0.00 0.00 179.01 180.80 1c20 h LEU 59 N 1.37 0.64 -0.17 1.64 5.85 -1.59 -2.39 115.31 120.66 1c20 h LEU 59 Ca 0.37 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 59.06 1c20 h LEU 59 Cb -0.15 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.71 1c20 h LEU 59 CO -0.08 0.47 0.07 0.22 -0.34 0.00 0.00 178.44 178.78 1c20 h TYR 60 N 0.76 0.25 -0.87 1.25 3.20 -1.31 -2.70 116.97 117.56 1c20 h TYR 60 Ca 0.21 -0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.07 1c20 h TYR 60 Cb -0.08 -0.08 -0.04 0.00 1.54 0.00 0.00 36.73 38.07 1c20 h TYR 60 CO -0.04 0.30 0.58 -0.91 -1.64 0.00 0.00 178.16 176.45 1c20 h ASN 61 N 0.13 1.00 -0.87 -2.11 -0.26 -1.22 -2.26 115.58 109.99 1c20 h ASN 61 Ca 0.06 -0.03 -0.03 0.00 -0.56 0.00 0.00 56.30 55.74 1c20 h ASN 61 Cb 0.15 -0.25 -0.04 0.00 -1.06 0.00 0.00 38.32 37.12 1c20 h ASN 61 CO -0.01 0.73 0.45 -0.07 -1.06 0.00 0.00 177.43 177.47 1c20 h LEU 62 N 1.18 1.12 0.33 1.61 3.38 -1.34 -1.24 115.31 120.36 1c20 h LEU 62 Ca 0.32 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 1c20 h LEU 62 Cb -0.13 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 40.33 1c20 h LEU 62 CO -0.07 0.93 -0.16 0.58 0.09 0.00 0.00 178.44 179.81 1c20 h VAL 63 N 1.24 0.67 -0.90 1.22 2.07 -1.09 -3.12 116.25 116.34 1c20 h VAL 63 Ca 0.30 -0.45 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 1c20 h VAL 63 Cb 0.08 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 1c20 h VAL 63 CO -0.04 0.09 0.49 0.40 0.02 0.00 0.00 177.57 178.53 1c20 h ILE 64 N -0.71 1.26 0.00 4.57 1.08 -1.41 -1.31 117.51 121.00 1c20 h ILE 64 Ca -0.05 -0.65 0.00 0.00 -0.39 0.00 0.00 64.86 63.78 1c20 h ILE 64 Cb 0.49 0.04 0.00 0.00 -3.07 0.00 0.00 36.82 34.28 1c20 h ILE 64 CO 0.08 0.29 0.34 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 -1.16 0.62 119.26 123.16 1c20 h ALA 65 Ca 0.32 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.91 1c20 h ALA 65 Cb 0.03 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 1c20 h ALA 65 CO -0.05 -0.30 -2.01 0.54 0.00 0.00 0.00 179.25 177.43 1c20 n ARG 66 N -2.56 0.66 0.00 0.00 1.74 -0.50 -4.98 116.66 111.02 1c20 n ARG 66 Ca -0.02 0.15 0.00 0.00 -0.77 0.00 0.00 57.85 57.22 1c20 n ARG 66 Cb 0.37 -1.67 0.00 0.00 -1.02 0.00 0.00 32.46 30.15 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 1.63 0.58 0.00 -0.13 0.00 0.21 -4.98 105.19 102.50 1c20 n GLY 67 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 4.67 0.20 -0.02 0.00 -1.21 -4.77 105.19 104.06 1c20 n GLY 68 Ca 0.00 -1.25 -0.06 0.00 0.00 0.00 0.00 46.02 44.72 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 0.42 -1.00 0.99 5.85 -1.96 -0.64 115.31 118.97 1c20 h LEU 69 Ca 0.00 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.74 1c20 h LEU 69 Cb 0.00 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 40.91 1c20 h LEU 69 CO 0.00 0.30 0.66 0.58 -0.34 0.00 0.00 178.44 179.64 1c20 h VAL 70 N 0.54 1.26 -0.82 1.05 2.07 -1.97 0.75 116.25 119.13 1c20 h VAL 70 Ca 0.20 -0.47 -0.04 0.00 0.82 0.00 0.00 66.70 67.20 1c20 h VAL 70 Cb 0.05 -0.21 -0.04 0.00 -1.52 0.00 0.00 31.29 29.57 1c20 h VAL 70 CO -0.11 0.25 0.36 0.44 0.02 0.00 0.00 177.57 178.53 1c20 h ASP 71 N 1.36 1.11 -0.17 0.57 3.32 -1.66 -1.29 116.42 119.67 1c20 h ASP 71 Ca 0.37 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 57.25 1c20 h ASP 71 Cb -0.15 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.10 1c20 h ASP 71 CO -0.08 0.97 0.06 0.58 -1.72 0.00 0.00 179.24 179.05 1c20 h VAL 72 N 1.19 1.17 0.14 -1.35 2.07 0.18 0.29 116.25 119.93 1c20 h VAL 72 Ca 0.28 -0.53 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 1c20 h VAL 72 Cb 0.18 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 1c20 h VAL 72 CO -0.03 0.16 -0.07 0.40 0.02 0.00 0.00 177.57 178.06 1c20 h ILE 73 N 0.10 0.89 -0.66 4.57 2.04 -0.62 1.52 117.51 125.34 1c20 h ILE 73 Ca 0.05 -0.08 0.01 0.00 1.00 0.00 0.00 64.86 65.84 1c20 h ILE 73 Cb 0.20 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 37.19 1c20 h ILE 73 CO -0.00 0.02 0.44 -1.13 0.00 0.00 0.00 178.15 177.48 1c20 h ASN 74 N -0.22 0.76 1.30 1.72 -0.73 -1.21 -0.55 115.58 116.65 1c20 h ASN 74 Ca -0.02 -0.02 0.00 0.00 1.87 0.00 0.00 56.30 58.13 1c20 h ASN 74 Cb 0.17 -0.19 0.00 0.00 0.27 0.00 0.00 38.32 38.57 1c20 h ASN 74 CO 0.03 0.55 0.00 0.29 -0.37 0.00 0.00 177.43 177.93 1c20 n LYS 75 N -4.62 0.18 -3.52 6.67 5.02 0.08 -4.66 118.16 117.31 1c20 n LYS 75 Ca 0.05 0.16 -0.21 0.00 -2.02 0.00 0.00 58.31 56.29 1c20 n LYS 75 Cb 0.02 -1.71 0.05 0.00 -0.02 0.00 0.00 35.03 33.37 1c20 n LYS 75 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1c20 n LYS 76 N -2.02 -3.36 -1.02 1.97 4.81 0.52 -4.88 118.16 114.17 1c20 n LYS 76 Ca 0.06 0.68 -0.07 0.00 -0.87 0.00 0.00 58.31 58.11 1c20 n LYS 76 Cb 0.39 -5.20 0.29 0.00 0.02 0.00 0.00 35.03 30.54 1c20 n LYS 76 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1c20 n LEU 77 N -3.91 6.09 0.26 3.14 4.77 -0.83 -4.50 117.00 122.03 1c20 n LEU 77 Ca -0.18 -3.18 0.12 0.00 -0.03 0.00 0.00 56.01 52.75 1c20 n LEU 77 Cb 0.64 -0.75 0.78 0.00 -2.33 0.00 0.00 43.42 41.75 1c20 n LEU 77 CO 0.64 0.81 1.10 -0.50 -1.33 0.00 0.00 177.39 178.12 1c20 h TRP 78 N 2.53 0.00 -0.98 -1.77 4.06 -1.90 -1.41 115.95 116.48 1c20 h TRP 78 Ca 0.29 0.00 0.01 0.00 2.06 0.00 0.00 58.89 61.25 1c20 h TRP 78 Cb 2.35 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 30.46 1c20 h TRP 78 CO 1.29 0.00 0.65 1.96 -3.56 0.00 0.00 178.44 178.78 1c20 h GLN 79 N 0.00 1.28 -1.00 0.49 1.08 -1.99 -0.77 115.11 114.21 1c20 h GLN 79 Ca 0.01 -0.08 0.01 0.00 -1.45 0.00 0.00 58.65 57.15 1c20 h GLN 79 Cb 0.06 -0.29 -0.05 0.00 -0.05 0.00 0.00 27.48 27.15 1c20 h GLN 79 CO -0.00 0.85 0.66 0.93 -0.95 0.00 0.00 178.83 180.32 1c20 h GLU 80 N 1.32 1.31 -0.40 1.46 5.08 -1.61 0.61 114.58 122.35 1c20 h GLU 80 Ca 0.36 -0.08 -0.16 0.00 -1.00 0.00 0.00 59.36 58.48 1c20 h GLU 80 Cb -0.15 -0.30 -0.01 0.00 0.50 0.00 0.00 28.75 28.80 1c20 h GLU 80 CO -0.08 0.87 -0.36 0.82 -1.00 0.00 0.00 179.01 179.26 1c20 h ILE 81 N 1.35 1.27 -0.82 3.13 2.04 -1.37 -2.90 117.51 120.21 1c20 h ILE 81 Ca 0.36 -1.54 -0.04 0.00 1.00 0.00 0.00 64.86 64.65 1c20 h ILE 81 Cb -0.15 1.34 -0.04 0.00 -0.74 0.00 0.00 36.82 37.23 1c20 h ILE 81 CO -0.08 0.52 0.35 0.40 0.00 0.00 0.00 178.15 179.34 1c20 h ILE 82 N 0.79 1.26 -0.67 -0.67 2.04 -0.36 0.61 117.51 120.52 1c20 h ILE 82 Ca 0.07 -0.80 0.01 0.00 1.00 0.00 0.00 64.86 65.13 1c20 h ILE 82 Cb 0.96 0.26 -0.03 0.00 -0.74 0.00 0.00 36.82 37.27 1c20 h ILE 82 CO 0.09 0.33 0.44 0.11 0.00 0.00 0.00 178.15 179.13 1c20 h LYS 83 N 1.18 0.88 -0.20 2.37 1.57 -0.79 0.48 116.57 122.06 1c20 h LYS 83 Ca 0.27 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.93 1c20 h LYS 83 Cb 0.19 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.30 1c20 h LYS 83 CO -0.03 0.58 -0.15 0.78 -0.57 0.00 0.00 179.45 180.07 1c20 h GLY 84 N 0.91 0.49 -5.78 3.86 0.00 -1.24 -3.16 103.07 98.15 1c20 h GLY 84 Ca 0.25 -0.48 -0.77 0.00 0.00 0.00 0.00 47.33 46.33 1c20 h GLY 84 CO -0.05 0.43 1.30 1.04 0.00 0.00 0.00 176.54 179.26 1c20 n LEU 85 N -4.50 7.48 -3.09 3.11 7.99 0.21 -5.03 117.00 123.18 1c20 n LEU 85 Ca -0.05 -5.09 -0.28 0.00 -0.01 0.00 0.00 56.01 50.58 1c20 n LEU 85 Cb 0.37 -1.20 0.03 0.00 -0.11 0.00 0.00 43.42 42.51 1c20 n LEU 85 CO 0.40 1.98 -1.03 1.41 -1.51 0.00 0.00 177.39 178.64 1c20 n HIS 86 N 0.32 -4.05 -1.66 -1.77 8.25 0.16 -4.64 115.22 111.83 1c20 n HIS 86 Ca 0.52 -0.03 -0.43 0.00 -0.26 0.00 0.00 57.72 57.51 1c20 n HIS 86 Cb 0.27 -1.10 -0.03 0.00 1.12 0.00 0.00 29.99 30.25 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 2.70 3.97 0.12 2.41 4.32 -1.26 -4.90 117.00 124.37 1c20 n LEU 87 Ca -0.02 0.86 -0.14 0.00 -0.02 0.00 0.00 56.01 56.70 1c20 n LEU 87 Cb 0.43 -1.50 -0.08 0.00 -1.62 0.00 0.00 43.42 40.65 1c20 n LEU 87 CO 0.41 0.09 0.73 -0.65 -1.22 0.00 0.00 177.39 176.75 1c20 h PRO 88 N 10.72 -0.25 -0.67 3.23 0.11 -1.85 -3.33 132.00 139.96 1c20 h PRO 88 Ca -0.49 0.02 -0.44 0.00 0.11 0.00 0.00 66.00 65.20 1c20 h PRO 88 Cb 1.25 0.06 -0.42 0.00 0.11 0.00 0.00 31.00 31.99 1c20 h PRO 88 CO 0.94 -0.06 -0.93 0.45 -0.21 0.00 0.00 178.00 178.20 1c20 n SER 89 N -5.14 3.69 -1.20 -2.05 2.88 -1.26 -4.88 113.62 105.67 1c20 n SER 89 Ca -0.09 -3.13 -0.12 0.00 -1.33 0.00 0.00 58.87 54.20 1c20 n SER 89 Cb 0.18 -0.40 -0.02 0.00 -0.75 0.00 0.00 64.21 63.22 1c20 n SER 89 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1c20 n SER 90 N -0.65 -3.94 -4.58 -3.46 2.88 -1.25 -4.93 113.62 97.70 1c20 n SER 90 Ca 0.30 0.08 -0.42 0.00 -1.33 0.00 0.00 58.87 57.50 1c20 n SER 90 Cb 0.90 -2.96 -0.02 0.00 -0.75 0.00 0.00 64.21 61.38 1c20 n SER 90 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1c20 s ILE 91 N -2.54 3.97 -0.28 2.46 1.01 -1.26 -4.83 121.20 119.73 1c20 s ILE 91 Ca 0.00 0.83 0.03 0.00 0.00 0.00 0.00 60.65 61.50 1c20 s ILE 91 Cb 0.00 -4.76 0.33 0.00 0.01 0.00 0.00 42.46 38.04 1c20 s ILE 91 CO 0.00 -1.42 1.38 0.35 0.00 0.00 0.00 174.94 175.25 1c20 n THR 92 N 6.63 1.93 -0.76 2.92 -2.24 -1.26 -3.43 114.28 118.06 1c20 n THR 92 Ca 0.08 -0.87 0.04 0.00 -2.27 0.00 0.00 64.05 61.03 1c20 n THR 92 Cb 0.49 -0.69 0.06 0.00 -2.10 0.00 0.00 70.33 68.09 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 -0.19 1.78 -0.27 3.42 2.88 -1.26 -4.77 113.62 115.21 1c20 n SER 93 Ca 0.26 -2.40 -0.05 0.00 -1.33 0.00 0.00 58.87 55.36 1c20 n SER 93 Cb 1.00 -0.21 0.06 0.00 -0.75 0.00 0.00 64.21 64.32 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 0.00 0.95 -0.12 -1.46 0.00 -1.98 0.18 119.26 116.83 1c20 h ALA 94 Ca 0.00 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.87 1c20 h ALA 94 Cb 0.86 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1c20 h ALA 94 CO 0.00 0.37 0.02 0.00 0.00 0.00 0.00 179.25 179.64 1c20 h ALA 95 N 1.27 0.11 -0.25 0.00 0.00 -1.90 0.58 119.26 119.07 1c20 h ALA 95 Ca 0.27 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1c20 h ALA 95 Cb -0.12 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1c20 h ALA 95 CO -0.06 -0.44 0.17 0.35 0.00 0.00 0.00 179.25 179.27 1c20 h PHE 96 N 0.07 0.32 -0.81 0.00 3.57 -1.79 0.18 116.94 118.47 1c20 h PHE 96 Ca 0.05 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 1c20 h PHE 96 Cb 0.05 -0.11 -0.04 0.00 2.79 0.00 0.00 35.95 38.64 1c20 h PHE 96 CO -0.12 0.20 0.46 1.15 -2.23 0.00 0.00 178.31 177.77 1c20 h THR 97 N 0.34 1.24 0.37 4.41 2.02 -0.15 -1.37 112.91 119.77 1c20 h THR 97 Ca 0.09 -0.58 -0.02 0.00 0.77 0.00 0.00 66.41 66.68 1c20 h THR 97 Cb -0.04 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 66.52 1c20 h THR 97 CO -0.02 0.26 -0.18 -0.07 0.37 0.00 0.00 175.52 175.88 1c20 h LEU 98 N 1.13 -0.42 -1.01 2.58 3.38 0.59 -1.65 115.31 119.91 1c20 h LEU 98 Ca 0.29 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 58.12 1c20 h LEU 98 Cb 0.02 0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.82 1c20 h LEU 98 CO -0.05 -0.02 0.67 0.08 0.09 0.00 0.00 178.44 179.21 1c20 h ARG 99 N -0.90 1.32 -0.14 1.13 0.11 -0.95 0.13 114.38 115.08 1c20 h ARG 99 Ca -0.05 -0.08 -0.07 0.00 0.10 0.00 0.00 59.98 59.87 1c20 h ARG 99 Cb 0.54 -0.30 -0.00 0.00 1.11 0.00 0.00 29.97 31.32 1c20 h ARG 99 CO 0.08 0.88 -0.21 0.00 0.10 0.00 0.00 179.97 180.82 1c20 h THR 100 N 1.36 1.36 -0.60 0.08 1.03 -1.30 -1.31 112.91 113.53 1c20 h THR 100 Ca 0.37 -1.43 -0.09 0.00 -0.01 0.00 0.00 66.41 65.25 1c20 h THR 100 Cb -0.16 1.97 -0.02 0.00 -1.07 0.00 0.00 68.15 68.87 1c20 h THR 100 CO -0.08 0.42 0.03 1.56 -0.01 0.00 0.00 175.52 177.44 1c20 h GLN 101 N -0.01 1.05 -0.01 0.00 4.20 -1.13 -0.92 115.11 118.28 1c20 h GLN 101 Ca 0.01 -0.32 0.00 0.00 0.06 0.00 0.00 58.65 58.41 1c20 h GLN 101 Cb 0.77 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.45 1c20 h GLN 101 CO 0.05 1.01 0.00 -0.92 -0.67 0.00 0.00 178.83 178.30 1c20 h TYR 102 N 0.95 0.01 -0.25 2.96 5.03 -0.73 -2.40 116.97 122.53 1c20 h TYR 102 Ca 0.18 0.00 -0.03 0.00 2.58 0.00 0.00 58.73 61.45 1c20 h TYR 102 Cb 0.52 -0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.78 1c20 h TYR 102 CO 0.04 0.01 0.01 0.52 -1.32 0.00 0.00 178.16 177.41 1c20 h MET 103 N 0.01 0.37 -0.69 1.82 2.86 -1.04 1.94 114.93 120.20 1c20 h MET 103 Ca 0.00 -0.06 0.01 0.00 -2.06 0.00 0.00 59.70 57.59 1c20 h MET 103 Cb 0.00 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.56 1c20 h MET 103 CO -0.00 0.40 0.46 -0.22 1.06 0.00 0.00 176.91 178.60 1c20 h LYS 104 N 0.37 0.90 0.00 1.72 3.11 -0.64 -3.35 116.57 118.68 1c20 h LYS 104 Ca 0.08 -0.05 0.00 0.00 -2.81 0.00 0.00 60.65 57.87 1c20 h LYS 104 Cb 0.23 -0.20 0.00 0.00 -1.00 0.00 0.00 32.23 31.26 1c20 h LYS 104 CO 0.00 0.60 -0.01 0.66 -2.81 0.00 0.00 179.45 177.89 1c20 n TYR 105 N -4.61 0.00 0.14 1.91 4.01 -1.08 -4.87 117.16 112.66 1c20 n TYR 105 Ca 0.06 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.86 1c20 n TYR 105 Cb 0.02 0.00 -0.08 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 -0.50 0.14 -0.18 7.72 4.77 0.65 -4.27 117.00 125.33 1c20 n LEU 106 Ca 0.00 -0.13 -0.05 0.00 -0.03 0.00 0.00 56.01 55.80 1c20 n LEU 106 Cb 0.00 0.00 0.13 0.00 -2.33 0.00 0.00 43.42 41.22 1c20 n LEU 106 CO 0.00 0.04 0.95 0.22 -1.33 0.00 0.00 177.39 177.26 1c20 h TYR 107 N 0.00 1.00 -0.01 -1.77 3.20 -1.36 0.23 116.97 118.25 1c20 h TYR 107 Ca 0.00 -0.11 -0.19 0.00 3.14 0.00 0.00 58.73 61.57 1c20 h TYR 107 Cb 0.46 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.44 1c20 h TYR 107 CO 0.00 0.83 -0.84 -1.00 -1.64 0.00 0.00 178.16 175.52 1c20 h PRO 108 N 0.91 0.22 -0.31 1.82 0.14 -1.83 -3.05 132.00 129.89 1c20 h PRO 108 Ca 0.19 -0.22 -0.08 0.00 0.14 0.00 0.00 66.00 66.03 1c20 h PRO 108 Cb 0.36 0.06 -0.01 0.00 0.14 0.00 0.00 31.00 31.55 1c20 h PRO 108 CO 0.00 0.94 -0.11 -0.92 0.14 0.00 0.00 178.00 178.05 1c20 h TYR 109 N 0.13 0.71 -0.15 1.56 3.20 -1.65 0.64 116.97 121.42 1c20 h TYR 109 Ca -0.04 -0.17 0.05 0.00 3.14 0.00 0.00 58.73 61.71 1c20 h TYR 109 Cb 1.45 -0.17 -0.05 0.00 1.54 0.00 0.00 36.73 39.50 1c20 h TYR 109 CO 0.03 0.83 -0.16 1.49 -1.64 0.00 0.00 178.16 178.71 1c20 h GLU 110 N 0.39 -0.18 0.00 1.82 4.57 -0.56 0.80 114.58 121.42 1c20 h GLU 110 Ca 0.07 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.27 1c20 h GLU 110 Cb 0.62 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.25 1c20 h GLU 110 CO 0.04 -0.12 0.00 0.00 -1.18 0.00 0.00 179.01 177.75 1c20 h GLU 112 N 0.00 -0.50 -0.37 0.00 4.57 0.16 1.02 114.58 119.45 1c20 h GLU 112 Ca 0.00 0.03 -0.17 0.00 -1.18 0.00 0.00 59.36 58.05 1c20 h GLU 112 Cb 0.50 0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 29.19 1c20 h GLU 112 CO 0.00 -0.19 -0.41 0.87 -1.18 0.00 0.00 179.01 178.10 1c20 h LYS 113 N -0.85 0.94 0.00 1.92 1.57 -1.46 -3.37 116.57 115.31 1c20 h LYS 113 Ca -0.05 -0.51 0.00 0.00 -1.87 0.00 0.00 60.65 58.22 1c20 h LYS 113 Cb 0.54 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.88 1c20 h LYS 113 CO 0.09 1.16 0.00 1.63 -0.57 0.00 0.00 179.45 181.76 1c20 n LYS 114 N -4.05 3.20 -3.83 3.15 4.76 -1.11 -5.02 118.16 115.27 1c20 n LYS 114 Ca -0.03 -0.17 -0.24 0.00 -2.87 0.00 0.00 58.31 55.00 1c20 n LYS 114 Cb 0.56 -0.63 0.01 0.00 -1.84 0.00 0.00 35.03 33.13 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 -0.51 -1.23 -0.36 4.39 2.85 0.35 -4.83 115.26 115.93 1c20 n ASN 115 Ca 0.00 -0.89 -0.03 0.00 -0.11 0.00 0.00 54.58 53.55 1c20 n ASN 115 Cb 0.01 -3.64 0.10 0.00 1.24 0.00 0.00 39.78 37.49 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 -1.86 1.14 0.00 1.20 3.38 -1.76 -3.47 115.31 113.93 1c20 h LEU 116 Ca -0.61 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.27 1c20 h LEU 116 Cb 1.37 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 41.82 1c20 h LEU 116 CO 0.60 0.87 0.02 -1.20 0.09 0.00 0.00 178.44 178.82 1c20 n SER 117 N -4.36 -0.36 -4.05 -0.43 7.64 -1.26 -5.06 113.62 105.73 1c20 n SER 117 Ca 0.11 -1.33 -0.10 0.00 1.01 0.00 0.00 58.87 58.55 1c20 n SER 117 Cb 0.05 0.63 -0.11 0.00 -1.01 0.00 0.00 64.21 63.77 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 -2.69 0.35 0.63 0.44 -4.23 -1.26 -4.85 115.64 104.03 1c20 s THR 118 Ca 0.04 -1.23 0.25 0.00 -1.18 0.00 0.00 61.69 59.58 1c20 s THR 118 Cb -0.01 -0.75 0.30 0.00 1.34 0.00 0.00 72.50 73.39 1c20 s THR 118 CO 0.03 -0.58 1.73 -0.65 -0.54 0.00 0.00 174.62 174.61 1c20 h PRO 119 N 4.16 0.00 0.49 3.99 0.10 -1.99 -0.59 132.00 138.17 1c20 h PRO 119 Ca -0.34 0.00 -0.02 0.00 0.10 0.00 0.00 66.00 65.74 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 0.48 0.00 -0.23 0.00 0.10 0.00 0.00 178.00 178.34 1c20 h ALA 120 N 1.13 -0.66 0.00 -0.75 0.00 -2.01 -2.78 119.26 114.19 1c20 h ALA 120 Ca 0.13 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1c20 h ALA 120 Cb 1.27 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 19.31 1c20 h ALA 120 CO -0.00 -0.66 -0.17 1.05 0.00 0.00 0.00 179.25 179.47 1c20 h GLU 121 N -1.08 0.00 -0.62 0.00 4.11 -1.72 -2.50 114.58 112.76 1c20 h GLU 121 Ca -0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.37 1c20 h GLU 121 Cb 0.57 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.79 1c20 h GLU 121 CO 0.11 0.17 0.41 1.25 0.07 0.00 0.00 179.01 181.02 1c20 h LEU 122 N 0.00 0.72 -0.97 3.06 5.85 -1.09 0.69 115.31 123.57 1c20 h LEU 122 Ca -0.00 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.70 1c20 h LEU 122 Cb 0.55 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.35 1c20 h LEU 122 CO 0.02 0.53 0.64 1.56 -0.34 0.00 0.00 178.44 180.85 1c20 h GLN 123 N 0.84 1.28 -0.31 1.25 1.08 -1.16 0.82 115.11 118.91 1c20 h GLN 123 Ca 0.23 -0.08 -0.03 0.00 -1.45 0.00 0.00 58.65 57.32 1c20 h GLN 123 Cb -0.09 -0.29 -0.02 0.00 -0.05 0.00 0.00 27.48 27.04 1c20 h GLN 123 CO -0.05 0.84 0.06 0.00 -0.95 0.00 0.00 178.83 178.73 1c20 h ALA 124 N 1.35 1.53 -0.48 3.87 0.00 -1.15 -0.79 119.26 123.59 1c20 h ALA 124 Ca 0.35 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 55.00 1c20 h ALA 124 Cb -0.15 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1c20 h ALA 124 CO -0.08 0.35 -0.19 0.00 0.00 0.00 0.00 179.25 179.34 1c20 h ALA 125 N 1.63 0.75 -0.29 0.00 0.00 0.14 0.11 119.26 121.60 1c20 h ALA 125 Ca 0.10 -0.38 -0.13 0.00 0.00 0.00 0.00 54.91 54.51 1c20 h ALA 125 Cb 0.20 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1c20 h ALA 125 CO -0.00 0.67 -0.32 0.82 0.00 0.00 0.00 179.25 180.42 1c20 h ILE 126 N 0.84 1.30 -0.49 0.00 2.04 -0.35 -2.95 117.51 117.90 1c20 h ILE 126 Ca 0.12 -1.49 -0.12 0.00 1.00 0.00 0.00 64.86 64.37 1c20 h ILE 126 Cb 0.75 1.59 -0.02 0.00 -0.74 0.00 0.00 36.82 38.41 1c20 h ILE 126 CO 0.06 0.48 -0.16 -0.78 0.00 0.00 0.00 178.15 177.75 1c20 h ASP 127 N 0.47 0.96 -0.54 1.72 1.82 -1.08 -2.59 116.42 117.18 1c20 h ASP 127 Ca 0.04 -0.33 0.10 0.00 -0.39 0.00 0.00 57.03 56.45 1c20 h ASP 127 Cb 0.90 -0.26 -0.03 0.00 0.68 0.00 0.00 39.33 40.61 1c20 h ASP 127 CO 0.08 1.10 0.37 1.23 -1.61 0.00 0.00 179.24 180.41 1c20 h GLY 128 N 0.93 0.46 1.02 -0.78 0.00 -0.70 0.23 103.07 104.24 1c20 h GLY 128 Ca 0.12 -0.13 0.01 0.00 0.00 0.00 0.00 47.33 47.33 1c20 h GLY 128 CO 0.05 0.08 0.66 -0.57 0.00 0.00 0.00 176.54 176.76 1c20 h ASN 129 N 0.33 1.14 0.00 0.19 -1.24 -1.29 -3.51 115.58 111.20 1c20 h ASN 129 Ca 0.25 -0.03 0.00 0.00 0.71 0.00 0.00 56.30 57.23 1c20 h ASN 129 Cb 0.56 -0.29 0.00 0.00 0.73 0.00 0.00 38.32 39.32 1c20 h ASN 129 CO -0.06 0.83 0.00 0.54 -1.29 0.00 0.00 177.43 177.45