#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wvf s ILE 10 N 0.00 1.08 0.12 -1.33 -5.25 -1.26 -5.13 121.20 109.42 2wvf s ILE 10 Ca 0.00 -1.46 -0.11 0.00 -0.99 0.00 0.00 60.65 58.08 2wvf s ILE 10 Cb 0.00 -1.77 -0.06 0.00 2.95 0.00 0.00 42.46 43.58 2wvf s ILE 10 CO 0.00 -0.61 0.47 -0.63 -1.79 0.00 0.00 174.94 172.38 2wvf s ILE 11 N 1.53 4.99 -0.11 8.37 -1.09 -1.26 -5.08 121.20 128.55 2wvf s ILE 11 Ca 0.08 0.58 -0.03 0.00 -2.23 0.00 0.00 60.65 59.05 2wvf s ILE 11 Cb -0.18 -3.68 -0.03 0.00 -1.58 0.00 0.00 42.46 37.00 2wvf s ILE 11 CO -0.21 0.23 0.01 0.00 -1.23 0.00 0.00 174.94 173.74 2wvf s ARG 12 N -2.04 3.26 0.04 2.79 1.70 -1.26 -5.11 118.95 118.33 2wvf s ARG 12 Ca 0.36 -0.40 -0.02 0.00 -0.47 0.00 0.00 55.73 55.21 2wvf s ARG 12 Cb -0.14 -2.90 -0.03 0.00 -0.57 0.00 0.00 34.95 31.32 2wvf s ARG 12 CO 0.19 0.58 -0.00 -0.59 -1.08 0.00 0.00 175.30 174.39 2wvf s PHE 13 N -0.52 0.38 -0.04 5.89 -0.12 -1.26 -5.16 117.98 117.15 2wvf s PHE 13 Ca 0.09 -0.80 -0.05 0.00 -0.05 0.00 0.00 56.93 56.12 2wvf s PHE 13 Cb -0.12 -0.28 -0.04 0.00 -0.63 0.00 0.00 43.02 41.95 2wvf s PHE 13 CO 0.02 -0.32 0.20 -1.54 -0.05 0.00 0.00 175.22 173.52 2wvf s SER 14 N -2.35 6.42 -0.16 1.98 1.04 -1.26 -5.08 113.70 114.29 2wvf s SER 14 Ca -0.02 0.45 -0.01 0.00 0.48 0.00 0.00 55.95 56.85 2wvf s SER 14 Cb 0.01 -2.05 -0.01 0.00 0.10 0.00 0.00 66.02 64.07 2wvf s SER 14 CO -0.06 0.31 -0.12 -0.69 0.98 0.00 0.00 173.24 173.65 2wvf s VAL 15 N -1.22 2.98 -0.06 5.02 1.01 -1.26 -5.11 120.40 121.76 2wvf s VAL 15 Ca 0.23 -0.66 -0.13 0.00 0.00 0.00 0.00 61.98 61.42 2wvf s VAL 15 Cb -0.13 -2.28 -0.05 0.00 0.00 0.00 0.00 36.38 33.92 2wvf s VAL 15 CO 0.13 0.50 0.34 -0.44 0.00 0.00 0.00 175.10 175.63 2wvf s SER 16 N 0.80 6.65 0.01 3.32 0.01 -1.26 -5.08 113.70 118.15 2wvf s SER 16 Ca -0.04 0.77 -0.28 0.00 1.31 0.00 0.00 55.95 57.71 2wvf s SER 16 Cb -0.15 -2.21 0.09 0.00 0.21 0.00 0.00 66.02 63.96 2wvf s SER 16 CO 0.01 0.27 0.75 -1.48 0.41 0.00 0.00 173.24 173.20 2wvf s LEU 17 N -0.64 -0.52 0.40 2.44 2.34 -1.26 -5.15 118.68 116.29 2wvf s LEU 17 Ca 0.21 0.30 -0.26 0.00 0.06 0.00 0.00 54.13 54.44 2wvf s LEU 17 Cb -0.15 2.34 -0.09 0.00 -0.56 0.00 0.00 46.19 47.73 2wvf s LEU 17 CO 0.09 -0.68 1.30 0.00 -1.06 0.00 0.00 176.35 176.00 2wvf s GLN 18 N -2.36 3.98 0.52 1.48 -2.07 -1.26 -4.82 119.66 115.12 2wvf s GLN 18 Ca -0.03 2.14 0.28 0.00 -1.82 0.00 0.00 55.36 55.94 2wvf s GLN 18 Cb -0.01 -2.76 1.40 0.00 -1.09 0.00 0.00 33.01 30.55 2wvf s GLN 18 CO -0.02 -0.48 1.91 0.37 -1.32 0.00 0.00 175.29 175.74 2wvf h GLN 19 N 2.69 0.07 -0.03 9.60 -0.00 -2.01 0.31 115.11 125.74 2wvf h GLN 19 Ca -0.50 -0.00 -0.13 0.00 -0.00 0.00 0.00 58.65 58.02 2wvf h GLN 19 Cb 1.25 -0.02 -0.02 0.00 0.00 0.00 0.00 27.48 28.69 2wvf h GLN 19 CO 0.63 0.05 -0.60 -0.91 0.00 0.00 0.00 178.83 177.99 2wvf h ASN 20 N 0.07 0.13 -0.02 -0.69 2.35 -1.99 -1.47 115.58 113.95 2wvf h ASN 20 Ca 0.40 -0.07 -0.17 0.00 -0.55 0.00 0.00 56.30 55.90 2wvf h ASN 20 Cb 1.47 -0.04 0.01 0.00 0.05 0.00 0.00 38.32 39.82 2wvf h ASN 20 CO -0.03 0.69 -0.66 0.25 -1.65 0.00 0.00 177.43 176.03 2wvf h LEU 21 N 0.08 0.61 -0.88 1.61 5.85 -1.31 -1.69 115.31 119.59 2wvf h LEU 21 Ca -0.01 -0.73 0.02 0.00 0.84 0.00 0.00 57.88 58.00 2wvf h LEU 21 Cb 1.07 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.87 2wvf h LEU 21 CO 0.08 1.26 0.58 0.25 -0.34 0.00 0.00 178.44 180.28 2wvf h LEU 22 N 0.02 0.98 -0.43 2.25 5.85 -1.36 0.13 115.31 122.76 2wvf h LEU 22 Ca -0.08 -0.02 -0.16 0.00 0.84 0.00 0.00 57.88 58.46 2wvf h LEU 22 Cb 1.35 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 42.13 2wvf h LEU 22 CO 0.13 0.70 -0.43 0.44 -0.34 0.00 0.00 178.44 178.94 2wvf h ASP 23 N 1.16 0.91 -0.65 1.25 3.32 -1.33 0.35 116.42 121.42 2wvf h ASP 23 Ca 0.33 -0.43 0.08 0.00 0.02 0.00 0.00 57.03 57.03 2wvf h ASP 23 Cb -0.08 -0.26 -0.07 0.00 0.22 0.00 0.00 39.33 39.14 2wvf h ASP 23 CO -0.09 1.21 0.31 -0.33 -1.72 0.00 0.00 179.24 178.63 2wvf h GLU 24 N 0.68 0.54 -0.50 3.56 3.07 -0.55 1.61 114.58 122.99 2wvf h GLU 24 Ca 0.05 -0.03 -0.12 0.00 -0.50 0.00 0.00 59.36 58.76 2wvf h GLU 24 Cb 1.01 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 28.78 2wvf h GLU 24 CO 0.10 0.36 -0.15 1.25 -1.40 0.00 0.00 179.01 179.16 2wvf h LEU 25 N 0.55 0.98 -0.25 1.33 5.85 -0.50 -2.27 115.31 121.00 2wvf h LEU 25 Ca 0.32 -0.34 -0.07 0.00 0.84 0.00 0.00 57.88 58.63 2wvf h LEU 25 Cb 0.31 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 2wvf h LEU 25 CO -0.25 1.12 -0.11 0.44 -0.34 0.00 0.00 178.44 179.30 2wvf h ASP 26 N 0.86 0.53 -0.68 1.25 3.32 0.10 -2.14 116.42 119.66 2wvf h ASP 26 Ca 0.13 -0.40 0.09 0.00 0.02 0.00 0.00 57.03 56.87 2wvf h ASP 26 Cb 0.71 -0.15 -0.07 0.00 0.22 0.00 0.00 39.33 40.04 2wvf h ASP 26 CO 0.05 0.81 0.31 -1.13 -1.72 0.00 0.00 179.24 177.57 2wvf h ASN 27 N 0.25 0.38 0.58 6.45 -0.73 0.23 -1.51 115.58 121.24 2wvf h ASN 27 Ca 0.06 0.07 -0.03 0.00 1.87 0.00 0.00 56.30 58.27 2wvf h ASN 27 Cb 0.60 0.01 -0.00 0.00 0.27 0.00 0.00 38.32 39.20 2wvf h ASN 27 CO 0.03 0.22 -0.13 0.03 -0.37 0.00 0.00 177.43 177.21 2wvf h ARG 28 N 0.54 0.00 0.00 6.67 2.47 -1.23 -2.60 114.38 120.23 2wvf h ARG 28 Ca 0.34 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 59.03 2wvf h ARG 28 Cb 0.38 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.70 2wvf h ARG 28 CO -0.28 0.13 -0.42 0.97 0.56 0.00 0.00 179.97 180.93 2wvf h ILE 29 N 0.00 0.17 -0.63 2.04 2.10 -0.61 -3.21 117.51 117.37 2wvf h ILE 29 Ca -0.00 -1.26 0.02 0.00 1.08 0.00 0.00 64.86 64.70 2wvf h ILE 29 Cb 0.45 1.94 -0.03 0.00 -1.09 0.00 0.00 36.82 38.10 2wvf h ILE 29 CO 0.02 0.10 0.42 0.40 -1.08 0.00 0.00 178.15 178.00 2wvf h ILE 30 N 0.00 1.13 -0.22 2.19 2.04 -1.04 -1.18 117.51 120.43 2wvf h ILE 30 Ca -0.01 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.57 2wvf h ILE 30 Cb 1.10 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 37.43 2wvf h ILE 30 CO 0.01 0.15 0.00 0.29 0.00 0.00 0.00 178.15 178.60 2wvf n LYS 31 N -4.45 2.21 -3.98 2.37 5.02 -1.24 -4.92 118.16 113.18 2wvf n LYS 31 Ca 0.07 -1.81 -0.33 0.00 -2.02 0.00 0.00 58.31 54.23 2wvf n LYS 31 Cb 0.08 -1.47 -0.06 0.00 -0.02 0.00 0.00 35.03 33.56 2wvf n LYS 31 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 2wvf s ASN 32 N -1.67 6.10 0.58 4.39 3.84 -0.45 -4.99 114.94 122.74 2wvf s ASN 32 Ca 0.35 0.26 0.35 0.00 0.21 0.00 0.00 52.86 54.02 2wvf s ASN 32 Cb 0.21 -1.85 1.73 0.00 -0.55 0.00 0.00 41.25 40.78 2wvf s ASN 32 CO 0.30 0.25 2.14 1.23 -2.79 0.00 0.00 177.10 178.23 2wvf h GLY 33 N 3.82 0.00 -6.42 1.21 0.00 -1.91 -3.46 103.07 96.31 2wvf h GLY 33 Ca -0.49 0.00 -0.74 0.00 0.00 0.00 0.00 47.33 46.11 2wvf h GLY 33 CO 0.67 0.00 0.96 -1.72 0.00 0.00 0.00 176.54 176.46 2wvf n TYR 34 N -3.29 2.00 -0.34 5.60 4.01 -1.26 -4.79 117.16 119.08 2wvf n TYR 34 Ca -0.01 0.52 0.24 0.00 -0.16 0.00 0.00 57.90 58.49 2wvf n TYR 34 Cb 0.21 -2.46 0.51 0.00 -0.31 0.00 0.00 39.34 37.29 2wvf n TYR 34 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2wvf h SER 35 N 7.73 0.45 -5.02 7.72 0.87 -1.97 -3.44 113.55 119.88 2wvf h SER 35 Ca -0.44 0.10 0.01 0.00 -1.23 0.00 0.00 61.79 60.24 2wvf h SER 35 Cb 1.32 0.04 -0.09 0.00 -0.44 0.00 0.00 62.40 63.23 2wvf h SER 35 CO 0.97 0.04 0.17 -0.94 -0.53 0.00 0.00 176.83 176.54 2wvf s SER 36 N -5.12 -0.37 0.02 6.23 1.04 -1.26 -5.06 113.70 109.18 2wvf s SER 36 Ca -0.09 -0.36 -0.23 0.00 0.48 0.00 0.00 55.95 55.75 2wvf s SER 36 Cb 0.26 0.65 -0.16 0.00 0.10 0.00 0.00 66.02 66.87 2wvf s SER 36 CO 0.80 -1.14 1.39 -0.09 0.98 0.00 0.00 173.24 175.18 2wvf h ARG 37 N 2.05 0.16 -0.96 4.02 2.43 -2.00 -2.33 114.38 117.75 2wvf h ARG 37 Ca -0.27 -0.07 0.10 0.00 -0.81 0.00 0.00 59.98 58.94 2wvf h ARG 37 Cb 1.27 -0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 30.74 2wvf h ARG 37 CO 0.32 0.50 0.60 1.03 -1.51 0.00 0.00 179.97 180.91 2wvf h SER 38 N -0.19 0.89 -0.42 -3.80 0.87 -1.99 -0.24 113.55 108.67 2wvf h SER 38 Ca 0.02 0.04 -0.12 0.00 -1.23 0.00 0.00 61.79 60.50 2wvf h SER 38 Cb 0.45 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.26 2wvf h SER 38 CO 0.01 0.50 -0.20 -0.33 -0.53 0.00 0.00 176.83 176.28 2wvf h GLU 39 N 0.98 0.92 -0.25 2.24 3.07 -1.96 0.41 114.58 119.99 2wvf h GLU 39 Ca 0.46 -0.38 -0.02 0.00 -0.50 0.00 0.00 59.36 58.92 2wvf h GLU 39 Cb 0.39 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.25 2wvf h GLU 39 CO -0.24 1.03 0.08 1.25 -1.40 0.00 0.00 179.01 179.72 2wvf h LEU 40 N 0.80 0.37 -0.50 1.33 5.85 -0.75 -2.02 115.31 120.39 2wvf h LEU 40 Ca 0.11 -0.21 -0.08 0.00 0.84 0.00 0.00 57.88 58.54 2wvf h LEU 40 Cb 0.75 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 2wvf h LEU 40 CO 0.06 0.48 -0.01 0.58 -0.34 0.00 0.00 178.44 179.20 2wvf h VAL 41 N 0.24 1.26 -0.66 1.05 2.07 -0.92 -0.58 116.25 118.71 2wvf h VAL 41 Ca 0.08 -1.10 0.03 0.00 0.82 0.00 0.00 66.70 66.52 2wvf h VAL 41 Cb 0.24 0.98 -0.04 0.00 -1.52 0.00 0.00 31.29 30.95 2wvf h VAL 41 CO -0.00 0.39 0.41 -0.09 0.02 0.00 0.00 177.57 178.29 2wvf h ARG 42 N 0.76 0.78 -0.03 1.57 2.43 -0.88 0.68 114.38 119.69 2wvf h ARG 42 Ca 0.14 -0.05 -0.16 0.00 -0.81 0.00 0.00 59.98 59.10 2wvf h ARG 42 Cb 0.54 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 2wvf h ARG 42 CO 0.03 0.52 -0.72 -0.44 -1.51 0.00 0.00 179.97 177.85 2wvf h ASP 43 N 0.81 0.19 -0.37 -3.80 3.32 -1.16 -1.43 116.42 113.98 2wvf h ASP 43 Ca 0.26 -0.13 -0.02 0.00 0.02 0.00 0.00 57.03 57.16 2wvf h ASP 43 Cb 0.01 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 2wvf h ASP 43 CO -0.10 0.85 0.15 -0.03 -1.72 0.00 0.00 179.24 178.38 2wvf h MET 44 N 0.11 0.56 -0.11 3.56 1.85 -0.70 -0.77 114.93 119.43 2wvf h MET 44 Ca -0.02 -0.10 0.01 0.00 -0.61 0.00 0.00 59.70 58.98 2wvf h MET 44 Cb 1.27 -0.09 -0.01 0.00 0.43 0.00 0.00 31.60 33.20 2wvf h MET 44 CO 0.11 0.54 0.03 0.82 -0.40 0.00 0.00 176.91 178.00 2wvf h ILE 45 N 0.45 0.97 -0.25 1.77 2.04 -0.71 -0.43 117.51 121.35 2wvf h ILE 45 Ca 0.12 -0.03 0.05 0.00 1.00 0.00 0.00 64.86 66.00 2wvf h ILE 45 Cb 0.19 0.88 -0.05 0.00 -0.74 0.00 0.00 36.82 37.11 2wvf h ILE 45 CO -0.01 0.01 -0.05 -0.09 0.00 0.00 0.00 178.15 178.02 2wvf h ARG 46 N 0.08 0.02 -0.65 2.37 2.43 -1.17 -0.01 114.38 117.46 2wvf h ARG 46 Ca 0.04 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 2wvf h ARG 46 Cb 0.03 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.54 2wvf h ARG 46 CO -0.05 0.01 0.42 1.49 -1.51 0.00 0.00 179.97 180.33 2wvf h GLU 47 N 0.02 0.86 -0.35 0.20 4.81 -0.80 -0.94 114.58 118.38 2wvf h GLU 47 Ca 0.12 -0.06 -0.16 0.00 -0.13 0.00 0.00 59.36 59.13 2wvf h GLU 47 Cb 0.18 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.36 2wvf h GLU 47 CO -0.25 0.58 -0.43 -0.22 -0.73 0.00 0.00 179.01 177.97 2wvf h LYS 48 N 0.88 0.89 -0.46 1.92 1.63 -0.84 -1.34 116.57 119.25 2wvf h LYS 48 Ca 0.24 -0.49 -0.10 0.00 -0.85 0.00 0.00 60.65 59.44 2wvf h LYS 48 Cb -0.08 0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 31.56 2wvf h LYS 48 CO -0.05 1.14 -0.13 -0.07 -3.45 0.00 0.00 179.45 176.89 2wvf h LEU 49 N 0.72 0.85 -0.36 5.20 3.38 -0.73 -0.27 115.31 124.10 2wvf h LEU 49 Ca 0.05 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.70 2wvf h LEU 49 Cb 1.02 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 2wvf h LEU 49 CO 0.10 0.99 0.06 0.58 0.09 0.00 0.00 178.44 180.27 2wvf h VAL 50 N 0.77 1.24 -0.62 1.22 2.07 -1.08 -1.31 116.25 118.54 2wvf h VAL 50 Ca 0.12 -0.83 0.04 0.00 0.82 0.00 0.00 66.70 66.85 2wvf h VAL 50 Cb 0.64 1.08 -0.04 0.00 -1.52 0.00 0.00 31.29 31.45 2wvf h VAL 50 CO 0.04 0.28 0.36 -0.33 0.02 0.00 0.00 177.57 177.95 2wvf h GLU 51 N 0.44 0.68 -0.85 1.57 5.08 -1.01 -0.54 114.58 119.94 2wvf h GLU 51 Ca 0.11 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 2wvf h GLU 51 Cb 0.35 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.41 2wvf h GLU 51 CO 0.01 0.45 0.48 -0.44 -1.00 0.00 0.00 179.01 178.51 2wvf h ASP 52 N 0.70 1.05 -0.65 1.42 3.32 -0.88 -2.04 116.42 119.34 2wvf h ASP 52 Ca 0.26 -0.09 -0.08 0.00 0.02 0.00 0.00 57.03 57.14 2wvf h ASP 52 Cb 0.08 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.34 2wvf h ASP 52 CO -0.13 0.83 0.10 -1.13 -1.72 0.00 0.00 179.24 177.19 2wvf h ASN 53 N 1.18 1.03 0.78 6.45 -0.73 -0.63 -2.51 115.58 121.15 2wvf h ASN 53 Ca 0.30 -0.26 -0.02 0.00 1.87 0.00 0.00 56.30 58.19 2wvf h ASN 53 Cb 0.00 -0.27 -0.00 0.00 0.27 0.00 0.00 38.32 38.31 2wvf h ASN 53 CO -0.05 1.03 -0.09 -0.50 -0.37 0.00 0.00 177.43 177.44 2wvf h TRP 54 N 0.99 0.00 -0.00 0.67 4.06 -0.79 -2.93 115.95 117.94 2wvf h TRP 54 Ca 0.20 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.15 2wvf h TRP 54 Cb 0.44 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.60 2wvf h TRP 54 CO 0.03 0.09 -0.01 0.00 -3.56 0.00 0.00 178.44 175.00 2wvf n ALA 55 N -2.17 2.66 -2.53 1.49 0.00 -0.79 -4.85 120.51 114.31 2wvf n ALA 55 Ca -0.00 -0.23 -0.25 0.00 0.00 0.00 0.00 53.44 52.96 2wvf n ALA 55 Cb 0.31 -1.45 -0.11 0.00 0.00 0.00 0.00 19.45 18.21 2wvf n ALA 55 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2wvf s GLU 56 N -2.10 1.81 0.00 0.00 -1.05 -1.11 -5.09 118.70 111.15 2wvf s GLU 56 Ca 0.43 -2.02 0.00 0.00 -0.15 0.00 0.00 54.97 53.23 2wvf s GLU 56 Cb 0.21 -1.20 0.00 0.00 -0.44 0.00 0.00 34.13 32.70 2wvf s GLU 56 CO 0.38 -0.15 0.00 -0.40 0.95 0.00 0.00 175.26 176.05 2wvf n ASP 57 N -0.84 0.00 -4.73 0.83 5.75 -1.26 -4.92 116.55 111.37 2wvf n ASP 57 Ca -0.04 0.00 -0.40 0.00 -0.01 0.00 0.00 54.79 54.34 2wvf n ASP 57 Cb 0.67 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.71 2wvf n ASP 57 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 2wvf s ASN 58 N -3.34 7.25 0.00 -1.12 -0.87 -1.26 -4.92 114.94 110.68 2wvf s ASN 58 Ca 0.00 1.49 0.29 0.00 -1.57 0.00 0.00 52.86 53.07 2wvf s ASN 58 Cb 0.00 -2.49 1.58 0.00 -0.02 0.00 0.00 41.25 40.31 2wvf s ASN 58 CO 0.00 -0.05 2.03 -0.81 -2.57 0.00 0.00 177.10 175.70 2wvf n PRO 59 N 3.08 1.17 0.07 -0.60 -0.04 -1.26 -2.77 135.00 134.65 2wvf n PRO 59 Ca -0.00 -0.24 -0.04 0.00 -0.04 0.00 0.00 63.50 63.17 2wvf n PRO 59 Cb 0.50 -1.46 -0.08 0.00 -0.04 0.00 0.00 33.50 32.42 2wvf n PRO 59 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 2wvf h ASN 60 N 0.58 0.00 -2.64 3.54 4.21 -2.01 -3.45 115.58 115.81 2wvf h ASN 60 Ca 0.00 0.00 -0.57 0.00 1.21 0.00 0.00 56.30 56.94 2wvf h ASN 60 Cb 0.12 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.30 2wvf h ASN 60 CO 0.00 0.86 1.23 -0.62 -1.29 0.00 0.00 177.43 177.61 2wvf s ASP 61 N -6.57 6.09 -0.38 5.81 3.68 -1.11 -4.87 116.67 119.32 2wvf s ASP 61 Ca 0.01 1.55 0.06 0.00 2.13 0.00 0.00 52.55 56.31 2wvf s ASP 61 Cb 0.09 -2.53 0.57 0.00 -1.45 0.00 0.00 42.92 39.61 2wvf s ASP 61 CO 0.80 -1.51 1.68 -0.62 0.13 0.00 0.00 175.17 175.65 2wvf n GLU 62 N 8.09 2.08 -2.95 4.34 1.02 -1.26 -3.49 120.64 128.47 2wvf n GLU 62 Ca 0.22 -3.14 -0.22 0.00 -0.02 0.00 0.00 57.16 54.00 2wvf n GLU 62 Cb 0.46 -2.00 -0.02 0.00 -0.02 0.00 0.00 31.44 29.85 2wvf n GLU 62 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2wvf n SER 63 N -1.12 2.78 -4.75 1.62 7.64 -1.23 -3.34 113.62 115.21 2wvf n SER 63 Ca 0.46 -3.32 -0.30 0.00 1.01 0.00 0.00 58.87 56.72 2wvf n SER 63 Cb 1.30 -0.57 -0.07 0.00 -1.01 0.00 0.00 64.21 63.86 2wvf n SER 63 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2wvf s LYS 64 N -3.05 2.79 0.03 1.43 -0.14 0.12 -4.91 119.74 116.01 2wvf s LYS 64 Ca 0.43 -0.75 0.06 0.00 -1.36 0.00 0.00 55.97 54.35 2wvf s LYS 64 Cb 0.34 -2.67 -0.03 0.00 -1.68 0.00 0.00 37.83 33.79 2wvf s LYS 64 CO -0.10 0.55 -0.17 -1.50 -0.76 0.00 0.00 175.35 173.37 2wvf s ILE 65 N -1.40 2.86 0.21 2.17 2.07 -1.26 -1.56 121.20 124.29 2wvf s ILE 65 Ca 0.28 -1.10 -0.17 0.00 -1.41 0.00 0.00 60.65 58.26 2wvf s ILE 65 Cb -0.12 -2.19 0.02 0.00 0.13 0.00 0.00 42.46 40.30 2wvf s ILE 65 CO 0.21 0.38 0.52 0.00 -1.91 0.00 0.00 174.94 174.14 2wvf s ALA 66 N -0.90 -0.80 -0.10 1.50 0.00 -0.53 -2.37 121.76 118.57 2wvf s ALA 66 Ca 0.14 -0.38 0.01 0.00 0.00 0.00 0.00 51.96 51.74 2wvf s ALA 66 Cb -0.11 0.89 0.02 0.00 0.00 0.00 0.00 23.12 23.92 2wvf s ALA 66 CO 0.05 -0.83 -0.13 0.08 0.00 0.00 0.00 175.76 174.93 2wvf s VAL 67 N -3.91 1.33 -0.23 0.00 1.01 -0.29 -0.53 120.40 117.78 2wvf s VAL 67 Ca 0.12 -0.54 -0.11 0.00 0.00 0.00 0.00 61.98 61.44 2wvf s VAL 67 Cb -0.01 -1.24 -0.05 0.00 0.00 0.00 0.00 36.38 35.08 2wvf s VAL 67 CO 0.00 0.41 0.19 -0.22 0.00 0.00 0.00 175.10 175.48 2wvf s LEU 68 N 1.03 4.12 -0.22 3.92 2.96 0.21 -0.10 118.68 130.60 2wvf s LEU 68 Ca -0.06 0.16 -0.07 0.00 -0.22 0.00 0.00 54.13 53.94 2wvf s LEU 68 Cb -0.15 -2.16 -0.03 0.00 0.50 0.00 0.00 46.19 44.36 2wvf s LEU 68 CO -0.02 0.05 0.05 -0.69 -1.32 0.00 0.00 176.35 174.43 2wvf s VAL 69 N 1.08 4.36 -0.02 1.68 1.01 -0.04 -0.56 120.40 127.90 2wvf s VAL 69 Ca 0.09 -0.17 0.04 0.00 0.00 0.00 0.00 61.98 61.94 2wvf s VAL 69 Cb -0.14 -3.00 -0.01 0.00 0.00 0.00 0.00 36.38 33.24 2wvf s VAL 69 CO 0.05 0.39 -0.13 -0.69 0.00 0.00 0.00 175.10 174.72 2wvf s VAL 70 N 1.16 1.03 -0.13 2.92 1.01 -0.37 -1.05 120.40 124.98 2wvf s VAL 70 Ca 0.04 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 61.51 2wvf s VAL 70 Cb -0.14 -0.88 -0.00 0.00 0.00 0.00 0.00 36.38 35.35 2wvf s VAL 70 CO 0.03 0.30 -0.19 -0.63 0.00 0.00 0.00 175.10 174.61 2wvf s ILE 71 N -0.11 2.44 0.14 2.22 1.01 -0.27 -0.49 121.20 126.15 2wvf s ILE 71 Ca 0.01 -0.87 -0.13 0.00 0.00 0.00 0.00 60.65 59.67 2wvf s ILE 71 Cb -0.07 -1.99 0.01 0.00 0.01 0.00 0.00 42.46 40.42 2wvf s ILE 71 CO 0.00 0.54 0.35 -0.72 0.00 0.00 0.00 174.94 175.11 2wvf s TYR 72 N 0.57 0.06 -0.91 3.97 -0.85 -0.06 -0.36 117.35 119.76 2wvf s TYR 72 Ca -0.11 -0.42 -0.24 0.00 -0.52 0.00 0.00 57.07 55.78 2wvf s TYR 72 Cb -0.16 0.13 0.06 0.00 0.38 0.00 0.00 41.96 42.36 2wvf s TYR 72 CO 0.04 -0.72 1.34 0.34 -1.52 0.00 0.00 175.55 175.03 2wvf s ASP 73 N -2.88 6.41 0.00 -0.18 -1.08 -0.23 0.12 116.67 118.82 2wvf s ASP 73 Ca 0.09 -1.23 0.14 0.00 -0.52 0.00 0.00 52.55 51.03 2wvf s ASP 73 Cb 0.02 -2.54 0.68 0.00 -1.46 0.00 0.00 42.92 39.62 2wvf s ASP 73 CO -0.06 -1.54 1.41 0.61 0.52 0.00 0.00 175.17 176.11 2wvf n GLY 74 N 6.24 -0.85 0.05 2.66 0.00 -1.26 -1.41 105.19 110.63 2wvf n GLY 74 Ca 0.22 -0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.30 2wvf n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wvf n GLY 75 N -0.06 -1.44 3.69 -0.02 0.00 -1.25 -4.89 105.19 101.22 2wvf n GLY 75 Ca 0.05 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 2wvf n GLY 75 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2wvf s GLN 76 N -3.11 4.39 0.37 1.61 0.74 -0.50 -4.97 119.66 118.19 2wvf s GLN 76 Ca 0.08 1.60 -0.28 0.00 0.05 0.00 0.00 55.36 56.81 2wvf s GLN 76 Cb 0.14 -3.53 -0.11 0.00 1.10 0.00 0.00 33.01 30.61 2wvf s GLN 76 CO 0.68 -0.38 1.49 0.54 -0.55 0.00 0.00 175.29 177.07 2wvf n ARG 77 N 4.98 2.66 0.00 1.67 5.12 -1.26 -2.45 116.66 127.38 2wvf n ARG 77 Ca 0.10 0.94 0.00 0.00 -1.93 0.00 0.00 57.85 56.95 2wvf n ARG 77 Cb 0.47 -2.67 0.00 0.00 -1.16 0.00 0.00 32.46 29.10 2wvf n ARG 77 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 2wvf n GLU 78 N 0.58 0.00 0.21 5.56 1.02 -1.26 -4.88 120.64 121.87 2wvf n GLU 78 Ca 0.02 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 57.01 2wvf n GLU 78 Cb 0.39 -1.72 -0.08 0.00 -0.02 0.00 0.00 31.44 30.00 2wvf n GLU 78 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2wvf h LEU 79 N 0.00 -0.44 -0.58 -4.62 5.85 -1.82 0.13 115.31 113.83 2wvf h LEU 79 Ca 0.00 -0.08 0.08 0.00 0.84 0.00 0.00 57.88 58.72 2wvf h LEU 79 Cb 0.00 0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.08 2wvf h LEU 79 CO 0.00 -0.18 0.24 -1.13 -0.34 0.00 0.00 178.44 177.03 2wvf h ASN 80 N -0.70 0.27 -0.52 1.25 -0.73 -1.88 -1.58 115.58 111.68 2wvf h ASN 80 Ca -0.05 0.06 -0.05 0.00 1.87 0.00 0.00 56.30 58.12 2wvf h ASN 80 Cb 0.50 0.03 -0.03 0.00 0.27 0.00 0.00 38.32 39.09 2wvf h ASN 80 CO 0.09 0.17 0.14 -0.61 -0.37 0.00 0.00 177.43 176.85 2wvf h GLN 81 N 0.44 0.88 -0.85 6.67 5.75 -1.91 -1.23 115.11 124.87 2wvf h GLN 81 Ca 0.28 -0.18 -0.01 0.00 -0.15 0.00 0.00 58.65 58.59 2wvf h GLN 81 Cb 0.30 -0.13 -0.04 0.00 1.07 0.00 0.00 27.48 28.68 2wvf h GLN 81 CO -0.26 0.79 0.49 -0.09 -2.65 0.00 0.00 178.83 177.12 2wvf h ARG 82 N 0.85 1.17 -0.66 1.69 9.65 -0.17 0.18 114.38 127.09 2wvf h ARG 82 Ca 0.19 -0.12 -0.05 0.00 -1.10 0.00 0.00 59.98 58.90 2wvf h ARG 82 Cb 0.31 -0.24 -0.03 0.00 -1.39 0.00 0.00 29.97 28.62 2wvf h ARG 82 CO -0.00 0.84 0.22 0.52 2.80 0.00 0.00 179.97 184.35 2wvf h MET 83 N 1.17 1.02 -0.49 0.20 2.86 -0.71 -0.26 114.93 118.72 2wvf h MET 83 Ca 0.30 -0.21 -0.05 0.00 -2.06 0.00 0.00 59.70 57.68 2wvf h MET 83 Cb -0.01 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.47 2wvf h MET 83 CO -0.05 0.88 0.11 0.82 1.06 0.00 0.00 176.91 179.73 2wvf h ILE 84 N 0.96 1.24 -0.61 -1.22 2.04 -0.72 -1.08 117.51 118.13 2wvf h ILE 84 Ca 0.22 -0.86 -0.01 0.00 1.00 0.00 0.00 64.86 65.21 2wvf h ILE 84 Cb 0.27 0.85 -0.03 0.00 -0.74 0.00 0.00 36.82 37.18 2wvf h ILE 84 CO -0.01 0.31 0.33 0.44 0.00 0.00 0.00 178.15 179.22 2wvf h ASP 85 N 0.68 0.76 -0.40 1.72 3.32 -0.36 0.96 116.42 123.11 2wvf h ASP 85 Ca 0.15 -0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.09 2wvf h ASP 85 Cb 0.34 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 2wvf h ASP 85 CO 0.00 0.64 0.18 0.40 -1.72 0.00 0.00 179.24 178.74 2wvf h ILE 86 N 0.83 1.19 -0.53 0.35 2.04 -0.88 -1.06 117.51 119.45 2wvf h ILE 86 Ca 0.21 -0.56 -0.02 0.00 1.00 0.00 0.00 64.86 65.49 2wvf h ILE 86 Cb 0.05 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 2wvf h ILE 86 CO -0.03 0.21 0.23 -0.61 0.00 0.00 0.00 178.15 177.95 2wvf h GLN 87 N 0.51 0.77 -1.00 2.37 -0.00 -0.91 -1.64 115.11 115.21 2wvf h GLN 87 Ca 0.14 -0.13 0.04 0.00 -0.00 0.00 0.00 58.65 58.70 2wvf h GLN 87 Cb 0.16 -0.13 -0.06 0.00 0.00 0.00 0.00 27.48 27.45 2wvf h GLN 87 CO -0.01 0.66 0.65 0.45 0.00 0.00 0.00 178.83 180.58 2wvf h HIS 88 N 0.71 1.22 0.00 3.99 3.86 -0.59 -2.57 115.15 121.76 2wvf h HIS 88 Ca 0.18 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.42 2wvf h HIS 88 Cb 0.15 -0.41 0.00 0.00 1.06 0.00 0.00 27.41 28.22 2wvf h HIS 88 CO 0.00 0.70 0.00 0.00 0.86 0.00 0.00 177.93 179.49 2wvf h ALA 89 N 1.41 1.00 0.00 2.45 0.00 -0.84 -3.30 119.26 119.98 2wvf h ALA 89 Ca 0.40 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.25 2wvf h ALA 89 Cb 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2wvf h ALA 89 CO -0.13 0.00 -0.29 0.66 0.00 0.00 0.00 179.25 179.49 2wvf h SER 90 N 0.00 0.00 0.00 0.00 4.64 -0.88 -3.47 113.55 113.85 2wvf h SER 90 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2wvf h SER 90 Cb 0.84 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.93 2wvf h SER 90 CO 0.00 0.29 0.00 0.61 -0.87 0.00 0.00 176.83 176.86 2wvf n GLY 91 N 0.39 2.06 3.71 -0.77 0.00 -1.24 -4.74 105.19 104.59 2wvf n GLY 91 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 2wvf n GLY 91 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wvf s THR 92 N -2.32 2.70 -0.14 2.61 -4.23 -1.26 -4.95 115.64 108.05 2wvf s THR 92 Ca 0.00 0.23 -0.01 0.00 -1.18 0.00 0.00 61.69 60.73 2wvf s THR 92 Cb 0.00 -2.59 -0.02 0.00 1.34 0.00 0.00 72.50 71.24 2wvf s THR 92 CO 0.00 -0.30 -0.12 -1.00 -0.54 0.00 0.00 174.62 172.67 2wvf s HIS 93 N -2.83 2.84 -0.31 3.99 0.09 0.80 -4.91 115.29 114.96 2wvf s HIS 93 Ca 0.64 -0.63 -0.19 0.00 -0.00 0.00 0.00 55.06 54.88 2wvf s HIS 93 Cb -0.19 -1.87 -0.01 0.00 -0.00 0.00 0.00 32.58 30.51 2wvf s HIS 93 CO 0.58 -0.21 0.56 0.08 -0.00 0.00 0.00 174.74 175.75 2wvf s VAL 94 N 0.40 4.99 0.05 -0.90 1.01 -1.26 -0.69 120.40 124.01 2wvf s VAL 94 Ca -0.09 0.67 -0.07 0.00 0.00 0.00 0.00 61.98 62.49 2wvf s VAL 94 Cb -0.16 -3.95 -0.30 0.00 0.00 0.00 0.00 36.38 31.97 2wvf s VAL 94 CO 0.05 -0.13 1.06 -0.07 0.00 0.00 0.00 175.10 176.01 2wvf h LEU 95 N 9.07 0.51 -7.00 3.92 3.38 -0.95 -3.48 115.31 120.76 2wvf h LEU 95 Ca -0.28 -0.57 0.08 0.00 0.09 0.00 0.00 57.88 57.21 2wvf h LEU 95 Cb 1.12 -0.17 -0.26 0.00 0.09 0.00 0.00 40.66 41.44 2wvf h LEU 95 CO 0.77 1.45 0.54 0.00 0.09 0.00 0.00 178.44 181.29 2wvf s THR 97 N -0.12 1.25 -0.11 0.00 2.01 -1.26 -0.64 115.64 116.76 2wvf s THR 97 Ca 0.03 -0.56 0.00 0.00 0.31 0.00 0.00 61.69 61.47 2wvf s THR 97 Cb -0.04 -1.12 -0.02 0.00 0.01 0.00 0.00 72.50 71.33 2wvf s THR 97 CO -0.06 0.38 -0.11 -0.89 -0.69 0.00 0.00 174.62 173.25 2wvf s THR 98 N 0.53 3.27 -0.07 -0.82 2.01 -0.35 -4.98 115.64 115.23 2wvf s THR 98 Ca -0.13 -0.60 0.03 0.00 0.31 0.00 0.00 61.69 61.30 2wvf s THR 98 Cb -0.15 -2.36 0.01 0.00 0.01 0.00 0.00 72.50 70.01 2wvf s THR 98 CO 0.04 0.54 -0.16 -2.28 -0.69 0.00 0.00 174.62 172.07 2wvf s HIS 99 N -0.02 1.73 -0.17 4.92 2.46 -1.26 -0.73 115.29 122.23 2wvf s HIS 99 Ca -0.02 -0.63 -0.01 0.00 0.47 0.00 0.00 55.06 54.87 2wvf s HIS 99 Cb -0.14 -1.21 -0.01 0.00 -0.13 0.00 0.00 32.58 31.09 2wvf s HIS 99 CO 0.04 -0.28 -0.11 0.42 -2.47 0.00 0.00 174.74 172.34 2wvf s ILE 100 N 0.45 3.03 -0.56 0.89 -1.09 0.52 -4.99 121.20 119.45 2wvf s ILE 100 Ca -0.13 -0.64 -0.26 0.00 -2.23 0.00 0.00 60.65 57.39 2wvf s ILE 100 Cb -0.15 -2.31 0.04 0.00 -1.58 0.00 0.00 42.46 38.45 2wvf s ILE 100 CO 0.04 0.49 1.03 -1.00 -1.23 0.00 0.00 174.94 174.27 2wvf s HIS 101 N 0.88 2.73 -0.14 3.97 3.76 -1.26 -1.12 115.29 124.10 2wvf s HIS 101 Ca -0.03 0.15 -0.26 0.00 -0.15 0.00 0.00 55.06 54.77 2wvf s HIS 101 Cb -0.15 -4.22 -0.25 0.00 1.11 0.00 0.00 32.58 29.07 2wvf s HIS 101 CO -0.00 -1.43 0.64 0.52 -0.85 0.00 0.00 174.74 173.63 2wvf h MET 102 N 9.39 0.05 0.00 1.40 0.00 -1.31 -3.49 114.93 120.96 2wvf h MET 102 Ca -0.26 -0.08 0.00 0.00 0.00 0.00 0.00 59.70 59.36 2wvf h MET 102 Cb 1.07 0.03 0.00 0.00 0.00 0.00 0.00 31.60 32.70 2wvf h MET 102 CO 1.12 1.04 0.00 -0.40 0.00 0.00 0.00 176.91 178.67 2wvf n ASP 103 N -4.47 0.00 0.01 1.22 5.68 -0.90 -4.97 116.55 113.11 2wvf n ASP 103 Ca -0.16 -0.78 0.16 0.00 -0.50 0.00 0.00 54.79 53.50 2wvf n ASP 103 Cb 0.59 0.00 0.62 0.00 -1.14 0.00 0.00 41.12 41.19 2wvf n ASP 103 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 2wvf h GLU 104 N 0.00 0.13 0.00 0.11 4.22 -2.02 -2.85 114.58 114.18 2wvf h GLU 104 Ca 0.00 -0.01 -0.03 0.00 0.08 0.00 0.00 59.36 59.40 2wvf h GLU 104 Cb 0.00 -0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.15 2wvf h GLU 104 CO 0.00 0.09 -0.46 0.72 -2.18 0.00 0.00 179.01 177.18 2wvf n HIS 105 N -4.44 0.00 -3.71 0.92 8.25 -1.26 -3.92 115.22 111.06 2wvf n HIS 105 Ca 0.08 -0.95 -0.13 0.00 -0.26 0.00 0.00 57.72 56.46 2wvf n HIS 105 Cb 0.45 -0.17 -0.13 0.00 1.12 0.00 0.00 29.99 31.25 2wvf n HIS 105 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 2wvf s ASN 106 N -2.58 0.00 0.01 0.41 0.01 -1.08 -3.98 114.94 107.74 2wvf s ASN 106 Ca 0.30 0.50 0.06 0.00 -0.71 0.00 0.00 52.86 53.01 2wvf s ASN 106 Cb 0.29 0.44 -0.02 0.00 0.41 0.00 0.00 41.25 42.38 2wvf s ASN 106 CO -0.05 -0.19 -0.18 0.00 -1.51 0.00 0.00 177.10 175.17 2wvf s LEU 108 N -0.71 3.01 0.02 0.00 0.20 -0.28 -0.89 118.68 120.04 2wvf s LEU 108 Ca 0.07 -0.17 0.07 0.00 0.69 0.00 0.00 54.13 54.78 2wvf s LEU 108 Cb -0.08 -1.68 -0.02 0.00 -0.43 0.00 0.00 46.19 43.98 2wvf s LEU 108 CO 0.00 0.24 -0.20 -1.61 -0.29 0.00 0.00 176.35 174.49 2wvf s GLU 109 N -0.05 1.42 -0.20 1.98 2.02 0.35 -0.36 118.70 123.87 2wvf s GLU 109 Ca -0.01 -0.83 -0.02 0.00 0.02 0.00 0.00 54.97 54.13 2wvf s GLU 109 Cb -0.14 -1.46 -0.00 0.00 0.10 0.00 0.00 34.13 32.63 2wvf s GLU 109 CO 0.03 0.38 -0.09 0.95 0.02 0.00 0.00 175.26 176.56 2wvf s THR 110 N -0.67 3.05 -0.25 3.63 -4.23 0.09 -1.24 115.64 116.02 2wvf s THR 110 Ca 0.07 -0.61 -0.01 0.00 -1.18 0.00 0.00 61.69 59.96 2wvf s THR 110 Cb -0.08 -2.36 0.03 0.00 1.34 0.00 0.00 72.50 71.43 2wvf s THR 110 CO 0.01 0.46 -0.06 -0.63 -0.54 0.00 0.00 174.62 173.85 2wvf s ILE 111 N 1.34 2.82 -0.25 2.99 1.01 0.27 -1.21 121.20 128.17 2wvf s ILE 111 Ca 0.04 -1.07 -0.20 0.00 0.00 0.00 0.00 60.65 59.42 2wvf s ILE 111 Cb -0.14 -2.44 -0.02 0.00 0.01 0.00 0.00 42.46 39.87 2wvf s ILE 111 CO -0.05 0.18 0.62 -0.63 0.00 0.00 0.00 174.94 175.07 2wvf s ILE 112 N 1.31 4.99 0.09 2.92 1.01 0.18 -0.62 121.20 131.08 2wvf s ILE 112 Ca -0.00 1.12 0.10 0.00 0.00 0.00 0.00 60.65 61.86 2wvf s ILE 112 Cb -0.17 -3.93 -0.04 0.00 0.01 0.00 0.00 42.46 38.34 2wvf s ILE 112 CO -0.05 0.03 -0.24 -0.76 0.00 0.00 0.00 174.94 173.92 2wvf s LEU 113 N 2.48 2.36 -0.02 2.97 1.43 0.30 -0.22 118.68 127.98 2wvf s LEU 113 Ca 0.26 -0.63 0.02 0.00 -1.03 0.00 0.00 54.13 52.75 2wvf s LEU 113 Cb -0.15 -1.33 0.00 0.00 0.03 0.00 0.00 46.19 44.74 2wvf s LEU 113 CO 0.08 0.22 -0.08 -1.58 0.23 0.00 0.00 176.35 175.23 2wvf s GLN 114 N -1.71 0.83 0.00 1.70 0.74 0.14 -1.45 119.66 119.90 2wvf s GLN 114 Ca 0.14 -0.25 0.00 0.00 0.05 0.00 0.00 55.36 55.30 2wvf s GLN 114 Cb -0.10 -0.79 0.00 0.00 1.10 0.00 0.00 33.01 33.22 2wvf s GLN 114 CO 0.05 0.09 0.00 0.41 -0.55 0.00 0.00 175.29 175.29 2wvf n GLY 115 N 3.33 -1.27 3.88 2.59 0.00 -0.60 -0.14 105.19 112.98 2wvf n GLY 115 Ca -0.18 -1.11 -0.30 0.00 0.00 0.00 0.00 46.02 44.43 2wvf n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wvf s ASN 116 N -4.00 6.29 0.25 1.61 2.20 -1.23 -0.70 114.94 119.36 2wvf s ASN 116 Ca 0.00 1.27 -0.04 0.00 -0.94 0.00 0.00 52.86 53.15 2wvf s ASN 116 Cb 0.00 -2.40 0.47 0.00 -2.00 0.00 0.00 41.25 37.32 2wvf s ASN 116 CO 0.00 -0.73 1.74 -1.28 -2.94 0.00 0.00 177.10 173.89 2wvf h SER 117 N 0.05 0.35 0.42 3.54 0.87 -1.89 -1.62 113.55 115.27 2wvf h SER 117 Ca -0.45 0.10 -0.02 0.00 -1.23 0.00 0.00 61.79 60.19 2wvf h SER 117 Cb 1.19 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.22 2wvf h SER 117 CO 0.62 0.14 -0.20 -0.26 -0.53 0.00 0.00 176.83 176.60 2wvf h PHE 118 N 0.49 -0.52 -0.66 2.24 0.04 -1.93 -1.81 116.94 114.80 2wvf h PHE 118 Ca 0.42 -0.01 0.10 0.00 2.80 0.00 0.00 57.97 61.28 2wvf h PHE 118 Cb 0.62 0.17 -0.07 0.00 2.20 0.00 0.00 35.95 38.87 2wvf h PHE 118 CO -0.14 -0.27 0.28 0.93 -0.60 0.00 0.00 178.31 178.51 2wvf h GLU 119 N -0.67 0.47 -0.11 1.51 5.08 -1.73 -1.28 114.58 117.86 2wvf h GLU 119 Ca -0.06 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.21 2wvf h GLU 119 Cb 0.49 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 2wvf h GLU 119 CO 0.09 0.31 -0.19 0.82 -1.00 0.00 0.00 179.01 179.05 2wvf h ILE 120 N 0.48 1.38 -0.25 3.13 2.04 -1.26 -2.14 117.51 120.89 2wvf h ILE 120 Ca 0.33 -1.43 -0.08 0.00 1.00 0.00 0.00 64.86 64.68 2wvf h ILE 120 Cb 0.40 2.05 -0.01 0.00 -0.74 0.00 0.00 36.82 38.51 2wvf h ILE 120 CO -0.30 0.41 -0.19 1.56 0.00 0.00 0.00 178.15 179.63 2wvf h GLN 121 N -0.10 0.44 -0.50 2.37 4.20 -1.16 -2.32 115.11 118.04 2wvf h GLN 121 Ca 0.01 -0.14 -0.09 0.00 0.06 0.00 0.00 58.65 58.48 2wvf h GLN 121 Cb 0.76 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.48 2wvf h GLN 121 CO 0.04 0.62 -0.07 -0.09 -0.67 0.00 0.00 178.83 178.66 2wvf h ARG 122 N 0.40 0.88 -0.39 1.46 2.43 -1.22 -1.69 114.38 116.26 2wvf h ARG 122 Ca 0.07 -0.29 0.02 0.00 -0.81 0.00 0.00 59.98 58.97 2wvf h ARG 122 Cb 0.56 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.01 2wvf h ARG 122 CO 0.04 0.92 0.21 1.25 -1.51 0.00 0.00 179.97 180.88 2wvf h LEU 123 N 0.80 0.33 -0.35 3.80 5.85 -0.92 -0.22 115.31 124.60 2wvf h LEU 123 Ca 0.14 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.90 2wvf h LEU 123 Cb 0.58 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.52 2wvf h LEU 123 CO 0.04 0.24 0.16 -0.61 -0.34 0.00 0.00 178.44 177.93 2wvf h GLN 124 N 0.43 0.33 -0.40 1.25 -0.00 -1.14 -1.41 115.11 114.17 2wvf h GLN 124 Ca 0.16 -0.02 -0.02 0.00 -0.00 0.00 0.00 58.65 58.77 2wvf h GLN 124 Cb 0.04 -0.07 -0.02 0.00 0.00 0.00 0.00 27.48 27.42 2wvf h GLN 124 CO -0.09 0.22 0.17 -0.07 0.00 0.00 0.00 178.83 179.06 2wvf h LEU 125 N 0.34 0.54 -0.32 -2.39 3.38 -0.94 -0.39 115.31 115.53 2wvf h LEU 125 Ca 0.15 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 2wvf h LEU 125 Cb 0.07 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2wvf h LEU 125 CO -0.11 0.54 0.03 -0.33 0.09 0.00 0.00 178.44 178.66 2wvf h GLU 126 N 0.50 0.54 -0.52 1.13 5.08 -0.93 -2.63 114.58 117.74 2wvf h GLU 126 Ca 0.13 -0.15 -0.07 0.00 -1.00 0.00 0.00 59.36 58.27 2wvf h GLU 126 Cb 0.16 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 2wvf h GLU 126 CO -0.01 0.64 0.06 0.82 -1.00 0.00 0.00 179.01 179.52 2wvf h ILE 127 N 0.35 1.26 0.00 3.13 2.04 -1.19 -2.68 117.51 120.42 2wvf h ILE 127 Ca 0.09 -0.99 -0.00 0.00 1.00 0.00 0.00 64.86 64.96 2wvf h ILE 127 Cb 0.38 0.88 -0.00 0.00 -0.74 0.00 0.00 36.82 37.34 2wvf h ILE 127 CO 0.01 0.35 -0.01 1.23 0.00 0.00 0.00 178.15 179.74 2wvf h GLY 128 N 0.75 0.00 0.45 5.37 0.00 -0.94 -2.18 103.07 106.52 2wvf h GLY 128 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.48 2wvf h GLY 128 CO 0.01 0.00 -0.20 0.61 0.00 0.00 0.00 176.54 176.96 2wvf n GLY 129 N -0.94 -0.71 3.76 4.60 0.00 -1.00 -4.91 105.19 105.99 2wvf n GLY 129 Ca -0.02 -0.36 -0.39 0.00 0.00 0.00 0.00 46.02 45.24 2wvf n GLY 129 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wvf s LEU 130 N -2.49 4.54 0.25 0.99 1.43 -0.82 -5.00 118.68 117.58 2wvf s LEU 130 Ca 0.26 2.00 -0.31 0.00 -1.03 0.00 0.00 54.13 55.05 2wvf s LEU 130 Cb 0.19 -3.73 -0.12 0.00 0.03 0.00 0.00 46.19 42.57 2wvf s LEU 130 CO 0.50 0.02 1.64 -0.60 0.23 0.00 0.00 176.35 178.14 2wvf s ARG 131 N -1.48 4.13 0.00 1.70 3.00 -1.26 -2.12 118.95 122.92 2wvf s ARG 131 Ca 0.44 2.58 0.00 0.00 -1.00 0.00 0.00 55.73 57.75 2wvf s ARG 131 Cb -0.26 -3.05 0.00 0.00 0.00 0.00 0.00 34.95 31.64 2wvf s ARG 131 CO 0.32 -0.68 0.00 0.41 0.00 0.00 0.00 175.30 175.35 2wvf n GLY 132 N 2.98 1.09 3.60 8.12 0.00 -1.26 -4.98 105.19 114.74 2wvf n GLY 132 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 2wvf n GLY 132 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wvf s VAL 133 N -2.28 4.91 -0.13 1.61 1.01 -0.90 -1.07 120.40 123.55 2wvf s VAL 133 Ca 0.00 0.85 0.22 0.00 0.00 0.00 0.00 61.98 63.05 2wvf s VAL 133 Cb 0.00 -4.03 -0.18 0.00 0.00 0.00 0.00 36.38 32.17 2wvf s VAL 133 CO 0.00 -0.19 0.72 0.29 0.00 0.00 0.00 175.10 175.92 2wvf n LYS 134 N 5.96 0.64 -3.64 2.72 5.02 0.51 -4.88 118.16 124.49 2wvf n LYS 134 Ca -0.00 -0.03 -0.09 0.00 -2.02 0.00 0.00 58.31 56.17 2wvf n LYS 134 Cb 0.49 -1.67 -0.07 0.00 -0.02 0.00 0.00 35.03 33.76 2wvf n LYS 134 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 2wvf s PHE 135 N -3.37 -0.95 -0.27 2.13 5.36 -1.08 -4.96 117.98 114.83 2wvf s PHE 135 Ca -0.05 2.01 -0.00 0.00 -0.96 0.00 0.00 56.93 57.93 2wvf s PHE 135 Cb 0.11 0.52 0.15 0.00 -0.34 0.00 0.00 43.02 43.46 2wvf s PHE 135 CO 0.85 -0.47 0.42 0.00 -1.46 0.00 0.00 175.22 174.56 2wvf s ALA 136 N 1.24 -1.30 -0.04 11.12 0.00 -1.25 -1.11 121.76 130.42 2wvf s ALA 136 Ca -0.07 0.74 0.03 0.00 0.00 0.00 0.00 51.96 52.67 2wvf s ALA 136 Cb -0.05 -1.91 0.00 0.00 0.00 0.00 0.00 23.12 21.17 2wvf s ALA 136 CO -0.14 -1.48 -0.13 0.15 0.00 0.00 0.00 175.76 174.17 2wvf s LYS 137 N 2.59 1.43 -0.18 0.00 -0.14 -0.21 -4.93 119.74 118.29 2wvf s LYS 137 Ca 0.12 -0.44 -0.10 0.00 -1.36 0.00 0.00 55.97 54.20 2wvf s LYS 137 Cb -0.14 -1.25 -0.05 0.00 -1.68 0.00 0.00 37.83 34.71 2wvf s LYS 137 CO -0.22 0.14 0.15 -1.17 -0.76 0.00 0.00 175.35 173.48 2wvf s LEU 138 N 0.26 4.25 -0.30 3.17 2.96 -1.26 -0.86 118.68 126.91 2wvf s LEU 138 Ca -0.06 0.31 -0.11 0.00 -0.22 0.00 0.00 54.13 54.04 2wvf s LEU 138 Cb -0.11 -2.11 -0.04 0.00 0.50 0.00 0.00 46.19 44.42 2wvf s LEU 138 CO 0.02 0.22 0.20 -0.89 -1.32 0.00 0.00 176.35 174.58 2wvf s THR 139 N 0.06 5.24 0.07 3.68 2.01 0.86 -4.97 115.64 122.58 2wvf s THR 139 Ca 0.10 0.02 -0.06 0.00 0.31 0.00 0.00 61.69 62.06 2wvf s THR 139 Cb -0.11 -3.56 -0.05 0.00 0.01 0.00 0.00 72.50 68.78 2wvf s THR 139 CO -0.00 0.17 0.31 -0.54 -0.69 0.00 0.00 174.62 173.87 2wvf s LYS 140 N 1.74 3.60 0.07 4.92 1.02 -1.26 -1.14 119.74 128.69 2wvf s LYS 140 Ca 0.07 -0.08 0.05 0.00 0.02 0.00 0.00 55.97 56.02 2wvf s LYS 140 Cb -0.16 -2.99 -0.03 0.00 -0.52 0.00 0.00 37.83 34.13 2wvf s LYS 140 CO 0.10 0.58 -0.14 0.00 -0.92 0.00 0.00 175.35 174.97 2wvf s ALA 141 N -1.45 1.20 0.06 5.17 0.00 -1.00 -5.00 121.76 120.74 2wvf s ALA 141 Ca 0.33 -0.98 0.07 0.00 0.00 0.00 0.00 51.96 51.38 2wvf s ALA 141 Cb -0.13 -0.12 -0.03 0.00 0.00 0.00 0.00 23.12 22.85 2wvf s ALA 141 CO 0.20 0.18 -0.18 -1.12 0.00 0.00 0.00 175.76 174.85 2wvf s SER 142 N -1.64 2.17 0.52 0.00 0.01 -1.26 -4.30 113.70 109.19 2wvf s SER 142 Ca -0.01 -0.56 0.20 0.00 1.31 0.00 0.00 55.95 56.89 2wvf s SER 142 Cb -0.10 -0.14 1.30 0.00 0.21 0.00 0.00 66.02 67.29 2wvf s SER 142 CO 0.02 0.07 2.07 0.77 0.41 0.00 0.00 173.24 176.58 2wvf h SER 143 N 4.61 0.03 0.22 2.44 4.64 -1.98 0.63 113.55 124.14 2wvf h SER 143 Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 2wvf h SER 143 Cb 1.17 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 2wvf h SER 143 CO 0.42 0.02 0.00 2.19 -0.87 0.00 0.00 176.83 178.60 2wvf h PHE 144 N 0.04 0.00 0.00 4.77 -5.15 -1.96 0.12 116.94 114.75 2wvf h PHE 144 Ca 0.13 0.00 -0.06 0.00 -0.20 0.00 0.00 57.97 57.84 2wvf h PHE 144 Cb 0.46 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.62 2wvf h PHE 144 CO -0.00 0.00 -0.28 0.93 -2.00 0.00 0.00 178.31 176.96 2wvf h GLU 145 N 0.00 0.00 0.00 6.09 5.08 -1.29 -3.40 114.58 121.07 2wvf h GLU 145 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2wvf h GLU 145 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 2wvf h GLU 145 CO 0.00 0.26 0.00 2.48 -1.00 0.00 0.00 179.01 180.75 2wvf n TYR 146 N -3.16 0.00 1.04 4.33 0.18 -0.67 -5.08 117.16 113.80 2wvf n TYR 146 Ca 0.03 0.00 0.12 0.00 1.88 0.00 0.00 57.90 59.93 2wvf n TYR 146 Cb 0.64 0.00 0.14 0.00 -0.38 0.00 0.00 39.34 39.74 2wvf n TYR 146 CO 0.00 0.00 0.00 0.09 -2.08 0.00 0.00 176.86 174.87