#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wvb n SER 9 N 0.00 1.59 -4.38 -1.12 7.64 -1.26 -4.80 113.62 111.29 2wvb n SER 9 Ca 0.00 -1.53 -0.35 0.00 1.01 0.00 0.00 58.87 58.00 2wvb n SER 9 Cb 0.00 -0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.07 2wvb n SER 9 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 2wvb s ILE 10 N -2.00 3.67 0.25 0.44 -5.25 -1.26 -5.09 121.20 111.96 2wvb s ILE 10 Ca 0.37 -0.40 0.10 0.00 -0.99 0.00 0.00 60.65 59.73 2wvb s ILE 10 Cb 0.21 -2.66 -0.04 0.00 2.95 0.00 0.00 42.46 42.92 2wvb s ILE 10 CO 0.33 0.43 -0.06 -0.63 -1.79 0.00 0.00 174.94 173.22 2wvb s ILE 11 N 1.19 3.23 -0.09 8.37 1.09 -1.26 -5.13 121.20 128.60 2wvb s ILE 11 Ca 0.03 -1.94 0.00 0.00 -1.10 0.00 0.00 60.65 57.63 2wvb s ILE 11 Cb -0.14 -2.70 -0.03 0.00 -1.06 0.00 0.00 42.46 38.53 2wvb s ILE 11 CO 0.00 -0.32 -0.07 -0.13 -0.10 0.00 0.00 174.94 174.32 2wvb s ARG 12 N -3.47 2.95 0.03 2.79 0.52 -1.26 -5.12 118.95 115.39 2wvb s ARG 12 Ca 0.30 -0.56 0.03 0.00 -0.52 0.00 0.00 55.73 54.97 2wvb s ARG 12 Cb -0.07 -2.64 -0.02 0.00 0.52 0.00 0.00 34.95 32.75 2wvb s ARG 12 CO 0.18 0.55 -0.10 -0.59 0.02 0.00 0.00 175.30 175.36 2wvb s PHE 13 N -0.50 0.84 0.29 -0.53 -0.12 -1.26 -5.15 117.98 111.55 2wvb s PHE 13 Ca 0.07 -0.33 -0.17 0.00 -0.05 0.00 0.00 56.93 56.45 2wvb s PHE 13 Cb -0.12 -0.51 -0.09 0.00 -0.63 0.00 0.00 43.02 41.68 2wvb s PHE 13 CO 0.02 -0.02 0.74 0.45 -0.05 0.00 0.00 175.22 176.37 2wvb s SER 14 N -1.02 6.91 -0.06 1.98 0.15 -1.26 -5.08 113.70 115.33 2wvb s SER 14 Ca -0.02 1.36 0.03 0.00 0.70 0.00 0.00 55.95 58.02 2wvb s SER 14 Cb -0.07 -2.40 0.00 0.00 -1.71 0.00 0.00 66.02 61.84 2wvb s SER 14 CO 0.01 -0.11 -0.15 -0.69 1.20 0.00 0.00 173.24 173.49 2wvb s VAL 15 N -1.80 1.32 -0.26 4.45 1.01 -1.26 -5.12 120.40 118.75 2wvb s VAL 15 Ca 0.50 -0.62 -0.07 0.00 0.00 0.00 0.00 61.98 61.79 2wvb s VAL 15 Cb -0.13 -1.17 -0.02 0.00 0.00 0.00 0.00 36.38 35.06 2wvb s VAL 15 CO 0.19 0.39 0.07 -0.44 0.00 0.00 0.00 175.10 175.31 2wvb s SER 16 N 0.36 5.11 -0.04 3.32 0.01 -1.26 -5.09 113.70 116.11 2wvb s SER 16 Ca -0.10 -0.34 0.07 0.00 1.31 0.00 0.00 55.95 56.88 2wvb s SER 16 Cb -0.14 -1.91 -0.01 0.00 0.21 0.00 0.00 66.02 64.17 2wvb s SER 16 CO 0.04 -0.08 -0.25 -0.76 0.41 0.00 0.00 173.24 172.59 2wvb s LEU 17 N 1.59 2.06 0.53 2.44 1.43 -1.26 -5.11 118.68 120.36 2wvb s LEU 17 Ca 0.06 -0.49 -0.22 0.00 -1.03 0.00 0.00 54.13 52.44 2wvb s LEU 17 Cb -0.16 -1.36 -0.06 0.00 0.03 0.00 0.00 46.19 44.64 2wvb s LEU 17 CO 0.03 0.27 1.28 0.00 0.23 0.00 0.00 176.35 178.16 2wvb n GLN 18 N 2.75 1.62 -0.06 1.70 -0.00 -1.26 -4.77 117.38 117.35 2wvb n GLN 18 Ca -0.17 0.59 0.07 0.00 -0.00 0.00 0.00 57.00 57.50 2wvb n GLN 18 Cb 0.52 -2.47 0.44 0.00 -0.00 0.00 0.00 30.24 28.73 2wvb n GLN 18 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.06 177.43 2wvb h GLN 19 N 1.42 0.51 -0.41 2.61 -0.00 -1.99 -1.59 115.11 115.66 2wvb h GLN 19 Ca -0.50 -0.03 -0.10 0.00 -0.00 0.00 0.00 58.65 58.02 2wvb h GLN 19 Cb 1.31 -0.12 -0.02 0.00 0.00 0.00 0.00 27.48 28.66 2wvb h GLN 19 CO 0.57 0.34 -0.15 -2.95 0.00 0.00 0.00 178.83 176.64 2wvb h ASN 20 N 0.53 0.75 -0.33 -0.69 -1.07 -2.00 -0.29 115.58 112.49 2wvb h ASN 20 Ca 0.22 -0.24 -0.18 0.00 0.07 0.00 0.00 56.30 56.18 2wvb h ASN 20 Cb 0.22 -0.20 -0.00 0.00 -2.07 0.00 0.00 38.32 36.26 2wvb h ASN 20 CO -0.06 0.91 -0.49 0.25 0.07 0.00 0.00 177.43 178.11 2wvb h LEU 21 N 0.68 0.99 -0.68 6.14 5.85 -1.68 -2.59 115.31 124.02 2wvb h LEU 21 Ca 0.11 -0.50 -0.08 0.00 0.84 0.00 0.00 57.88 58.25 2wvb h LEU 21 Cb 0.63 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 2wvb h LEU 21 CO 0.04 1.31 0.12 0.25 -0.34 0.00 0.00 178.44 179.82 2wvb h LEU 22 N 0.71 1.07 -0.90 2.25 5.85 -1.10 -0.26 115.31 122.93 2wvb h LEU 22 Ca 0.03 -0.26 -0.05 0.00 0.84 0.00 0.00 57.88 58.44 2wvb h LEU 22 Cb 1.09 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.81 2wvb h LEU 22 CO 0.11 1.06 0.21 0.44 -0.34 0.00 0.00 178.44 179.92 2wvb h ASP 23 N 1.05 0.94 -0.08 1.25 3.32 -1.01 -1.08 116.42 120.81 2wvb h ASP 23 Ca 0.21 -0.16 -0.16 0.00 0.02 0.00 0.00 57.03 56.94 2wvb h ASP 23 Cb 0.43 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 2wvb h ASP 23 CO 0.01 0.88 -0.49 -0.08 -1.72 0.00 0.00 179.24 177.85 2wvb h GLU 24 N 0.98 0.64 -0.32 3.56 4.57 -1.16 -2.24 114.58 120.61 2wvb h GLU 24 Ca 0.22 -0.37 0.03 0.00 -1.18 0.00 0.00 59.36 58.05 2wvb h GLU 24 Cb 0.28 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.87 2wvb h GLU 24 CO -0.01 0.98 0.14 1.25 -1.18 0.00 0.00 179.01 180.20 2wvb h LEU 25 N 0.51 0.20 -0.86 1.64 5.85 -0.77 -1.16 115.31 120.72 2wvb h LEU 25 Ca 0.03 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.77 2wvb h LEU 25 Cb 1.03 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 42.01 2wvb h LEU 25 CO 0.10 0.15 0.55 0.44 -0.34 0.00 0.00 178.44 179.34 2wvb h ASP 26 N 0.31 1.01 -0.48 1.25 3.32 -1.11 -0.19 116.42 120.52 2wvb h ASP 26 Ca 0.14 -0.05 -0.06 0.00 0.02 0.00 0.00 57.03 57.09 2wvb h ASP 26 Cb 0.07 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.35 2wvb h ASP 26 CO -0.11 0.75 0.10 0.78 -1.72 0.00 0.00 179.24 179.04 2wvb h ASN 27 N 1.17 0.79 -0.01 6.45 -0.26 -1.16 -2.35 115.58 120.22 2wvb h ASN 27 Ca 0.31 -0.16 -0.16 0.00 -0.56 0.00 0.00 56.30 55.74 2wvb h ASN 27 Cb -0.09 -0.21 -0.01 0.00 -1.06 0.00 0.00 38.32 36.95 2wvb h ASN 27 CO -0.06 0.80 -0.53 -0.09 -1.06 0.00 0.00 177.43 176.48 2wvb h ARG 28 N 0.81 0.58 -0.46 0.81 9.65 -0.67 0.47 114.38 125.57 2wvb h ARG 28 Ca 0.17 -0.36 0.02 0.00 -1.10 0.00 0.00 59.98 58.72 2wvb h ARG 28 Cb 0.34 0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 28.92 2wvb h ARG 28 CO 0.00 0.97 0.27 0.82 2.80 0.00 0.00 179.97 184.83 2wvb h ILE 29 N 0.45 1.04 -0.04 1.20 2.04 -0.85 -1.07 117.51 120.29 2wvb h ILE 29 Ca 0.01 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.67 2wvb h ILE 29 Cb 1.07 0.45 -0.00 0.00 -0.74 0.00 0.00 36.82 37.60 2wvb h ILE 29 CO 0.10 0.10 -0.03 0.40 0.00 0.00 0.00 178.15 178.73 2wvb h ILE 30 N 0.54 1.35 -0.59 -0.67 2.04 -1.22 -0.54 117.51 118.42 2wvb h ILE 30 Ca 0.19 -1.08 0.02 0.00 1.00 0.00 0.00 64.86 64.98 2wvb h ILE 30 Cb 0.02 2.00 -0.03 0.00 -0.74 0.00 0.00 36.82 38.07 2wvb h ILE 30 CO -0.09 0.29 0.39 0.11 0.00 0.00 0.00 178.15 178.86 2wvb h LYS 31 N -0.33 0.74 -0.35 2.37 1.57 -0.82 -3.02 116.57 116.73 2wvb h LYS 31 Ca 0.01 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2wvb h LYS 31 Cb 0.48 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.63 2wvb h LYS 31 CO 0.01 0.49 0.00 0.09 -0.57 0.00 0.00 179.45 179.47 2wvb n ASN 32 N -4.45 3.22 -0.36 0.86 4.13 -0.41 -4.97 115.26 113.27 2wvb n ASN 32 Ca 0.06 -1.93 -0.04 0.00 1.68 0.00 0.00 54.58 54.36 2wvb n ASN 32 Cb 0.08 -0.23 -0.01 0.00 -1.54 0.00 0.00 39.78 38.08 2wvb n ASN 32 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2wvb n GLY 33 N 1.24 0.41 3.87 7.41 0.00 -0.86 -5.05 105.19 112.22 2wvb n GLY 33 Ca 0.17 -0.81 -0.31 0.00 0.00 0.00 0.00 46.02 45.07 2wvb n GLY 33 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wvb s TYR 34 N -2.16 3.46 -0.99 1.61 1.51 -0.27 -5.01 117.35 115.51 2wvb s TYR 34 Ca 0.00 1.23 0.12 0.00 -1.01 0.00 0.00 57.07 57.40 2wvb s TYR 34 Cb 0.00 -2.85 -0.02 0.00 -0.11 0.00 0.00 41.96 38.98 2wvb s TYR 34 CO 0.00 -0.93 0.66 -1.13 -1.11 0.00 0.00 175.55 173.04 2wvb n SER 35 N -2.89 1.21 -3.51 2.29 3.41 -1.26 -4.67 113.62 108.20 2wvb n SER 35 Ca 0.06 -1.10 -0.09 0.00 -0.26 0.00 0.00 58.87 57.48 2wvb n SER 35 Cb 0.55 0.55 -0.02 0.00 -0.26 0.00 0.00 64.21 65.03 2wvb n SER 35 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2wvb s SER 36 N -1.58 -0.38 0.20 4.04 1.04 -1.26 -5.01 113.70 110.74 2wvb s SER 36 Ca 0.09 -0.03 -0.11 0.00 0.48 0.00 0.00 55.95 56.38 2wvb s SER 36 Cb 0.09 0.43 0.13 0.00 0.10 0.00 0.00 66.02 66.77 2wvb s SER 36 CO 0.32 -0.70 1.84 0.03 0.98 0.00 0.00 173.24 175.71 2wvb h ARG 37 N 2.00 0.95 -0.59 4.02 3.08 -1.96 -2.43 114.38 119.44 2wvb h ARG 37 Ca -0.24 -0.08 0.05 0.00 0.07 0.00 0.00 59.98 59.77 2wvb h ARG 37 Cb 1.25 -0.20 -0.05 0.00 0.08 0.00 0.00 29.97 31.05 2wvb h ARG 37 CO 0.32 0.67 0.32 1.03 -1.07 0.00 0.00 179.97 181.24 2wvb h SER 38 N 0.95 0.47 -0.31 7.04 0.87 -1.99 -0.65 113.55 119.94 2wvb h SER 38 Ca 0.25 0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.82 2wvb h SER 38 Cb -0.03 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 61.85 2wvb h SER 38 CO -0.05 0.32 0.10 -0.08 -0.53 0.00 0.00 176.83 176.59 2wvb h GLU 39 N 0.61 0.47 -0.10 2.24 4.81 -1.90 -1.42 114.58 119.29 2wvb h GLU 39 Ca 0.26 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.38 2wvb h GLU 39 Cb 0.15 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.46 2wvb h GLU 39 CO -0.17 0.52 0.02 1.25 -0.73 0.00 0.00 179.01 179.90 2wvb h LEU 40 N 0.34 0.16 -0.69 1.64 5.85 -1.11 -1.61 115.31 119.90 2wvb h LEU 40 Ca 0.10 -0.26 -0.00 0.00 0.84 0.00 0.00 57.88 58.56 2wvb h LEU 40 Cb 0.24 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 2wvb h LEU 40 CO -0.00 0.38 0.42 0.58 -0.34 0.00 0.00 178.44 179.48 2wvb h VAL 41 N -0.07 1.19 -0.43 1.05 2.07 -1.14 0.10 116.25 119.02 2wvb h VAL 41 Ca 0.03 -0.41 0.06 0.00 0.82 0.00 0.00 66.70 67.20 2wvb h VAL 41 Cb 0.29 0.23 -0.05 0.00 -1.52 0.00 0.00 31.29 30.24 2wvb h VAL 41 CO 0.00 0.20 0.13 -0.09 0.02 0.00 0.00 177.57 177.83 2wvb h ARG 42 N 0.93 0.27 -0.37 1.57 2.43 -1.14 -0.49 114.38 117.59 2wvb h ARG 42 Ca 0.25 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.32 2wvb h ARG 42 Cb -0.05 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.43 2wvb h ARG 42 CO -0.05 0.18 -0.12 -0.44 -1.51 0.00 0.00 179.97 178.04 2wvb h ASP 43 N 0.28 0.63 -0.29 -3.80 3.32 -0.70 -1.49 116.42 114.37 2wvb h ASP 43 Ca 0.21 -0.18 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 2wvb h ASP 43 Cb 0.22 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 2wvb h ASP 43 CO -0.23 0.78 0.15 0.24 -1.72 0.00 0.00 179.24 178.45 2wvb h MET 44 N 0.59 0.41 0.22 3.56 2.86 -0.36 -1.31 114.93 120.91 2wvb h MET 44 Ca 0.10 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.68 2wvb h MET 44 Cb 0.55 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.13 2wvb h MET 44 CO 0.03 0.38 -0.15 0.82 1.06 0.00 0.00 176.91 179.06 2wvb h ILE 45 N 0.34 0.69 -0.70 -1.22 2.04 -0.88 0.71 117.51 118.49 2wvb h ILE 45 Ca 0.10 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.11 2wvb h ILE 45 Cb 0.10 0.69 -0.11 0.00 -0.74 0.00 0.00 36.82 36.76 2wvb h ILE 45 CO -0.01 0.00 0.09 0.03 0.00 0.00 0.00 178.15 178.26 2wvb h ARG 46 N -0.36 0.18 -0.29 2.37 3.08 -1.21 -2.31 114.38 115.83 2wvb h ARG 46 Ca -0.02 -0.01 -0.10 0.00 0.07 0.00 0.00 59.98 59.92 2wvb h ARG 46 Cb 0.31 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 2wvb h ARG 46 CO 0.01 0.12 -0.19 1.49 -1.07 0.00 0.00 179.97 180.33 2wvb h GLU 47 N 0.19 0.65 0.00 0.04 4.81 -0.79 -3.20 114.58 116.28 2wvb h GLU 47 Ca 0.39 -0.31 -0.06 0.00 -0.13 0.00 0.00 59.36 59.25 2wvb h GLU 47 Cb 0.66 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.03 2wvb h GLU 47 CO -0.55 0.90 -0.31 0.87 -0.73 0.00 0.00 179.01 179.20 2wvb h LYS 48 N 0.39 0.00 0.33 1.92 1.57 -0.54 -3.04 116.57 117.20 2wvb h LYS 48 Ca 0.06 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 2wvb h LYS 48 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.05 2wvb h LYS 48 CO 0.05 0.31 -0.17 -0.07 -0.57 0.00 0.00 179.45 179.00 2wvb h LEU 49 N 0.00 -0.42 -0.90 2.94 3.38 -1.41 -2.91 115.31 115.98 2wvb h LEU 49 Ca -0.00 0.02 0.14 0.00 0.09 0.00 0.00 57.88 58.12 2wvb h LEU 49 Cb 0.67 0.12 -0.14 0.00 0.09 0.00 0.00 40.66 41.39 2wvb h LEU 49 CO 0.04 -0.28 -0.36 0.52 0.09 0.00 0.00 178.44 178.44 2wvb n VAL 50 N -3.32 -0.48 -2.55 1.22 0.31 -1.22 -5.15 118.33 107.14 2wvb n VAL 50 Ca -0.06 2.11 -0.41 0.00 -0.01 0.00 0.00 64.34 65.97 2wvb n VAL 50 Cb 0.19 -2.78 -0.02 0.00 -0.91 0.00 0.00 33.84 30.32 2wvb n VAL 50 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2wvb s GLU 51 N -5.83 3.74 0.00 5.55 8.01 -1.10 -5.17 118.70 123.90 2wvb s GLU 51 Ca -0.12 -1.56 0.00 0.00 0.01 0.00 0.00 54.97 53.30 2wvb s GLU 51 Cb 0.18 -5.44 0.00 0.00 -4.31 0.00 0.00 34.13 24.55 2wvb s GLU 51 CO 0.64 -2.31 0.00 -0.25 0.01 0.00 0.00 175.26 173.35 2wvb n ASP 57 N 8.90 0.00 -4.71 -0.19 8.00 -1.26 -5.05 116.55 122.24 2wvb n ASP 57 Ca 0.42 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.50 2wvb n ASP 57 Cb 0.48 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.55 2wvb n ASP 57 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 2wvb s ASN 58 N 0.00 6.82 0.47 -2.24 0.01 -1.26 -5.00 114.94 113.75 2wvb s ASN 58 Ca 0.00 2.28 -0.24 0.00 -0.71 0.00 0.00 52.86 54.20 2wvb s ASN 58 Cb 0.00 -2.58 -0.07 0.00 0.41 0.00 0.00 41.25 39.01 2wvb s ASN 58 CO 0.00 -0.68 1.30 -2.16 -1.51 0.00 0.00 177.10 174.05 2wvb s PRO 59 N 1.47 3.62 0.32 -0.60 0.04 -1.26 -5.03 135.00 133.55 2wvb s PRO 59 Ca 0.65 2.11 -0.00 0.00 0.04 0.00 0.00 61.00 63.80 2wvb s PRO 59 Cb -0.36 -2.50 -0.01 0.00 0.04 0.00 0.00 34.50 31.68 2wvb s PRO 59 CO 0.30 -0.77 0.39 0.54 0.04 0.00 0.00 177.00 177.50 2wvb s ASN 60 N -0.94 0.98 0.00 6.66 2.20 -1.26 -5.00 114.94 117.58 2wvb s ASN 60 Ca 0.64 -1.51 0.31 0.00 -0.94 0.00 0.00 52.86 51.35 2wvb s ASN 60 Cb -0.37 0.61 1.66 0.00 -2.00 0.00 0.00 41.25 41.15 2wvb s ASN 60 CO 0.46 -1.19 2.10 0.47 -2.94 0.00 0.00 177.10 176.00 2wvb n ASP 61 N -1.28 0.22 -4.72 3.54 10.43 -1.26 -2.44 116.55 121.03 2wvb n ASP 61 Ca 0.03 -0.84 -0.42 0.00 2.57 0.00 0.00 54.79 56.13 2wvb n ASP 61 Cb 0.62 -0.06 -0.03 0.00 1.84 0.00 0.00 41.12 43.49 2wvb n ASP 61 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 2wvb s GLU 62 N -2.17 4.35 0.25 -1.24 0.41 -1.26 -4.70 118.70 114.34 2wvb s GLU 62 Ca 0.41 2.04 -0.30 0.00 -0.41 0.00 0.00 54.97 56.71 2wvb s GLU 62 Cb 0.21 -3.24 -0.10 0.00 -1.78 0.00 0.00 34.13 29.22 2wvb s GLU 62 CO 0.40 -0.37 1.46 0.45 -0.49 0.00 0.00 175.26 176.71 2wvb s SER 63 N 0.87 6.62 0.07 -0.19 0.15 -1.26 -4.17 113.70 115.79 2wvb s SER 63 Ca 0.62 2.69 0.01 0.00 0.70 0.00 0.00 55.95 59.97 2wvb s SER 63 Cb -0.36 -2.62 -0.04 0.00 -1.71 0.00 0.00 66.02 61.29 2wvb s SER 63 CO 0.32 -0.73 -0.05 -0.54 1.20 0.00 0.00 173.24 173.44 2wvb s LYS 64 N -0.32 0.68 0.07 5.44 1.02 0.07 -4.94 119.74 121.75 2wvb s LYS 64 Ca 0.60 -1.15 -0.11 0.00 0.02 0.00 0.00 55.97 55.34 2wvb s LYS 64 Cb -0.43 -0.08 -0.06 0.00 -0.52 0.00 0.00 37.83 36.75 2wvb s LYS 64 CO 0.43 -0.04 0.40 -1.50 -0.92 0.00 0.00 175.35 173.73 2wvb s ILE 65 N -3.16 5.08 0.08 2.17 1.10 -1.26 -1.68 121.20 123.54 2wvb s ILE 65 Ca 0.05 0.53 -0.07 0.00 -0.51 0.00 0.00 60.65 60.64 2wvb s ILE 65 Cb 0.02 -3.66 -0.01 0.00 0.15 0.00 0.00 42.46 38.97 2wvb s ILE 65 CO -0.05 0.34 0.14 0.00 -2.11 0.00 0.00 174.94 173.26 2wvb s ALA 66 N -1.34 -0.08 -0.08 1.50 0.00 -0.03 -1.39 121.76 120.33 2wvb s ALA 66 Ca 0.31 -0.72 0.03 0.00 0.00 0.00 0.00 51.96 51.58 2wvb s ALA 66 Cb -0.14 0.42 0.01 0.00 0.00 0.00 0.00 23.12 23.41 2wvb s ALA 66 CO 0.17 -0.47 -0.17 0.08 0.00 0.00 0.00 175.76 175.37 2wvb s VAL 67 N -3.77 1.51 -0.19 0.00 1.01 -0.08 -1.33 120.40 117.56 2wvb s VAL 67 Ca 0.05 -0.69 -0.05 0.00 0.00 0.00 0.00 61.98 61.28 2wvb s VAL 67 Cb 0.05 -1.34 -0.03 0.00 0.00 0.00 0.00 36.38 35.06 2wvb s VAL 67 CO -0.10 0.44 0.01 -0.22 0.00 0.00 0.00 175.10 175.23 2wvb s LEU 68 N 0.57 3.43 -0.23 3.92 2.96 0.26 -0.39 118.68 129.19 2wvb s LEU 68 Ca -0.16 -0.10 -0.07 0.00 -0.22 0.00 0.00 54.13 53.58 2wvb s LEU 68 Cb -0.17 -1.86 -0.03 0.00 0.50 0.00 0.00 46.19 44.63 2wvb s LEU 68 CO 0.05 0.12 0.07 -0.69 -1.32 0.00 0.00 176.35 174.58 2wvb s VAL 69 N 0.68 4.46 -0.07 1.68 1.01 -0.04 -0.40 120.40 127.72 2wvb s VAL 69 Ca 0.00 -0.13 0.03 0.00 0.00 0.00 0.00 61.98 61.89 2wvb s VAL 69 Cb -0.14 -3.06 0.00 0.00 0.00 0.00 0.00 36.38 33.18 2wvb s VAL 69 CO 0.02 0.37 -0.18 -0.69 0.00 0.00 0.00 175.10 174.62 2wvb s VAL 70 N 1.22 1.57 -0.13 2.92 1.01 -0.13 -0.50 120.40 126.36 2wvb s VAL 70 Ca 0.05 -0.75 -0.02 0.00 0.00 0.00 0.00 61.98 61.26 2wvb s VAL 70 Cb -0.14 -1.38 -0.02 0.00 0.00 0.00 0.00 36.38 34.83 2wvb s VAL 70 CO 0.03 0.45 -0.06 -0.63 0.00 0.00 0.00 175.10 174.89 2wvb s ILE 71 N 0.40 3.68 0.06 2.22 1.01 -0.82 -0.34 121.20 127.41 2wvb s ILE 71 Ca -0.14 -0.45 -0.06 0.00 0.00 0.00 0.00 60.65 60.01 2wvb s ILE 71 Cb -0.16 -2.58 -0.01 0.00 0.01 0.00 0.00 42.46 39.72 2wvb s ILE 71 CO 0.05 0.52 0.10 -0.72 0.00 0.00 0.00 174.94 174.90 2wvb s TYR 72 N 0.15 0.26 -0.37 3.97 -0.85 -0.46 0.07 117.35 120.12 2wvb s TYR 72 Ca -0.03 -0.69 -0.29 0.00 -0.52 0.00 0.00 57.07 55.54 2wvb s TYR 72 Cb -0.14 -0.17 0.01 0.00 0.38 0.00 0.00 41.96 42.04 2wvb s TYR 72 CO 0.03 -0.45 1.28 0.34 -1.52 0.00 0.00 175.55 175.23 2wvb s ASP 73 N -2.67 6.59 0.00 -0.18 -1.08 0.32 -1.01 116.67 118.64 2wvb s ASP 73 Ca 0.03 0.93 0.17 0.00 -0.52 0.00 0.00 52.55 53.15 2wvb s ASP 73 Cb 0.04 -2.54 0.89 0.00 -1.46 0.00 0.00 42.92 39.85 2wvb s ASP 73 CO -0.09 -1.20 1.59 0.00 0.52 0.00 0.00 175.17 175.99 2wvb n HIS 74 N 7.94 0.05 1.12 -5.34 1.44 -0.42 -2.39 115.22 117.62 2wvb n HIS 74 Ca 0.14 -0.03 0.12 0.00 -2.01 0.00 0.00 57.72 55.95 2wvb n HIS 74 Cb 0.48 0.00 0.17 0.00 0.12 0.00 0.00 29.99 30.75 2wvb n HIS 74 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2wvb n HIS 75 N -0.51 0.00 -2.47 -1.40 8.25 -1.26 -4.89 115.22 112.94 2wvb n HIS 75 Ca 0.13 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.16 2wvb n HIS 75 Cb 0.11 -0.03 -0.02 0.00 1.12 0.00 0.00 29.99 31.17 2wvb n HIS 75 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 2wvb s GLN 76 N -2.37 3.66 0.31 -0.41 2.00 -1.01 -4.97 119.66 116.87 2wvb s GLN 76 Ca 0.23 0.79 -0.29 0.00 -2.00 0.00 0.00 55.36 54.09 2wvb s GLN 76 Cb 0.19 -3.96 -0.10 0.00 0.80 0.00 0.00 33.01 29.93 2wvb s GLN 76 CO 0.50 -1.46 1.42 1.03 -0.50 0.00 0.00 175.29 176.28 2wvb s ARG 77 N 4.68 4.25 0.00 1.67 0.52 -1.26 -2.64 118.95 126.17 2wvb s ARG 77 Ca 0.55 2.35 0.00 0.00 -0.52 0.00 0.00 55.73 58.11 2wvb s ARG 77 Cb -0.11 -3.06 0.00 0.00 0.52 0.00 0.00 34.95 32.30 2wvb s ARG 77 CO 0.32 -0.38 0.00 0.39 0.02 0.00 0.00 175.30 175.64 2wvb n GLU 78 N 1.43 -0.20 -0.19 3.54 -0.58 -1.26 -4.88 120.64 118.49 2wvb n GLU 78 Ca 0.03 0.05 -0.07 0.00 -0.42 0.00 0.00 57.16 56.75 2wvb n GLU 78 Cb 0.40 -3.66 0.02 0.00 -0.57 0.00 0.00 31.44 27.64 2wvb n GLU 78 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 2wvb h LEU 79 N 0.00 0.70 -0.86 -4.62 5.85 -1.87 -1.26 115.31 113.24 2wvb h LEU 79 Ca 0.00 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 2wvb h LEU 79 Cb 0.10 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 40.91 2wvb h LEU 79 CO 0.00 0.61 0.51 -1.13 -0.34 0.00 0.00 178.44 178.09 2wvb h ASN 80 N 0.74 1.05 -0.69 1.25 -1.24 -1.90 -0.94 115.58 113.85 2wvb h ASN 80 Ca 0.19 -0.08 0.01 0.00 0.71 0.00 0.00 56.30 57.14 2wvb h ASN 80 Cb 0.07 -0.27 -0.04 0.00 0.73 0.00 0.00 38.32 38.82 2wvb h ASN 80 CO -0.03 0.82 0.45 -0.61 -1.29 0.00 0.00 177.43 176.78 2wvb h GLN 81 N 1.19 0.90 -0.78 6.67 5.75 -1.86 -0.65 115.11 126.32 2wvb h GLN 81 Ca 0.31 -0.05 -0.05 0.00 -0.15 0.00 0.00 58.65 58.70 2wvb h GLN 81 Cb -0.02 -0.20 -0.03 0.00 1.07 0.00 0.00 27.48 28.29 2wvb h GLN 81 CO -0.06 0.59 0.30 0.00 -2.65 0.00 0.00 178.83 177.02 2wvb h ARG 82 N 0.93 1.18 -0.69 1.69 3.08 -0.53 0.10 114.38 120.14 2wvb h ARG 82 Ca 0.26 -0.22 -0.07 0.00 0.07 0.00 0.00 59.98 60.01 2wvb h ARG 82 Cb -0.10 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 29.74 2wvb h ARG 82 CO -0.06 0.97 0.17 0.52 -1.07 0.00 0.00 179.97 180.49 2wvb h MET 83 N 1.14 1.11 -0.43 0.04 2.86 -0.70 -0.91 114.93 118.04 2wvb h MET 83 Ca 0.26 -0.26 -0.05 0.00 -2.06 0.00 0.00 59.70 57.59 2wvb h MET 83 Cb 0.24 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.73 2wvb h MET 83 CO -0.02 0.98 0.09 0.82 1.06 0.00 0.00 176.91 179.84 2wvb h ILE 84 N 1.05 1.24 -0.90 -1.22 2.04 -0.67 -0.00 117.51 119.04 2wvb h ILE 84 Ca 0.22 -0.84 0.04 0.00 1.00 0.00 0.00 64.86 65.29 2wvb h ILE 84 Cb 0.37 0.96 -0.06 0.00 -0.74 0.00 0.00 36.82 37.36 2wvb h ILE 84 CO 0.00 0.29 0.58 0.44 0.00 0.00 0.00 178.15 179.47 2wvb h ASP 85 N 0.56 0.95 -0.20 1.72 3.32 -0.46 0.10 116.42 122.41 2wvb h ASP 85 Ca 0.13 -0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.13 2wvb h ASP 85 Cb 0.34 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 2wvb h ASP 85 CO 0.00 0.64 -0.09 0.40 -1.72 0.00 0.00 179.24 178.48 2wvb h ILE 86 N 1.11 1.30 -0.74 0.35 2.04 -0.91 -1.86 117.51 118.80 2wvb h ILE 86 Ca 0.37 -1.13 0.01 0.00 1.00 0.00 0.00 64.86 65.11 2wvb h ILE 86 Cb 0.05 1.62 -0.04 0.00 -0.74 0.00 0.00 36.82 37.72 2wvb h ILE 86 CO -0.14 0.34 0.48 1.56 0.00 0.00 0.00 178.15 180.40 2wvb h GLN 87 N 0.12 0.94 -0.00 2.37 4.20 -0.65 -0.08 115.11 122.00 2wvb h GLN 87 Ca 0.05 -0.06 -0.14 0.00 0.06 0.00 0.00 58.65 58.56 2wvb h GLN 87 Cb 0.57 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 28.11 2wvb h GLN 87 CO 0.03 0.62 -0.66 0.45 -0.67 0.00 0.00 178.83 178.60 2wvb h HIS 88 N 0.97 0.02 0.00 2.96 3.86 -0.94 -2.98 115.15 119.03 2wvb h HIS 88 Ca 0.28 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.48 2wvb h HIS 88 Cb -0.08 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.39 2wvb h HIS 88 CO -0.03 0.67 -0.45 0.00 0.86 0.00 0.00 177.93 178.99 2wvb n ALA 89 N -2.42 2.79 -1.75 2.45 0.00 -0.71 -4.84 120.51 116.03 2wvb n ALA 89 Ca -0.01 -0.20 -0.32 0.00 0.00 0.00 0.00 53.44 52.91 2wvb n ALA 89 Cb 0.65 -1.25 -0.01 0.00 0.00 0.00 0.00 19.45 18.84 2wvb n ALA 89 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2wvb s SER 90 N -4.19 6.15 0.00 0.00 1.04 -0.07 -4.92 113.70 111.72 2wvb s SER 90 Ca 0.08 1.69 0.15 0.00 0.48 0.00 0.00 55.95 58.35 2wvb s SER 90 Cb 0.14 -2.52 0.88 0.00 0.10 0.00 0.00 66.02 64.62 2wvb s SER 90 CO 0.68 -0.91 1.57 0.61 0.98 0.00 0.00 173.24 176.17 2wvb n GLY 91 N -1.31 -0.93 3.85 7.32 0.00 -1.26 -4.85 105.19 108.01 2wvb n GLY 91 Ca 0.08 -0.11 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 2wvb n GLY 91 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wvb s THR 92 N -1.99 3.83 -0.35 2.61 -4.23 -1.26 -4.91 115.64 109.35 2wvb s THR 92 Ca 0.23 0.60 -0.04 0.00 -1.18 0.00 0.00 61.69 61.29 2wvb s THR 92 Cb 0.11 -3.49 0.06 0.00 1.34 0.00 0.00 72.50 70.52 2wvb s THR 92 CO 0.18 -0.78 0.10 -2.28 -0.54 0.00 0.00 174.62 171.30 2wvb s HIS 93 N -3.21 3.33 -0.18 3.99 5.65 0.50 -4.96 115.29 120.41 2wvb s HIS 93 Ca 0.58 -1.77 -0.29 0.00 0.25 0.00 0.00 55.06 53.83 2wvb s HIS 93 Cb -0.12 -2.46 -0.00 0.00 -1.18 0.00 0.00 32.58 28.81 2wvb s HIS 93 CO 0.53 -0.81 1.00 0.08 -0.65 0.00 0.00 174.74 174.89 2wvb s VAL 94 N 1.31 4.74 -0.04 0.89 1.01 -1.26 -0.90 120.40 126.14 2wvb s VAL 94 Ca -0.01 1.98 -0.22 0.00 0.00 0.00 0.00 61.98 63.73 2wvb s VAL 94 Cb -0.21 -4.29 -0.31 0.00 0.00 0.00 0.00 36.38 31.58 2wvb s VAL 94 CO 0.00 -0.09 0.91 -0.07 0.00 0.00 0.00 175.10 175.85 2wvb h LEU 95 N 8.82 0.47 -7.00 3.92 3.38 -0.78 -3.49 115.31 120.63 2wvb h LEU 95 Ca -0.24 -0.94 0.13 0.00 0.09 0.00 0.00 57.88 56.91 2wvb h LEU 95 Cb 1.10 -0.15 -0.17 0.00 0.09 0.00 0.00 40.66 41.53 2wvb h LEU 95 CO 0.92 1.38 0.56 0.00 0.09 0.00 0.00 178.44 181.38 2wvb s THR 97 N -2.76 1.51 -0.04 0.00 -4.23 -1.26 -1.46 115.64 107.41 2wvb s THR 97 Ca 0.05 -1.26 0.01 0.00 -1.18 0.00 0.00 61.69 59.32 2wvb s THR 97 Cb -0.01 -1.35 0.02 0.00 1.34 0.00 0.00 72.50 72.50 2wvb s THR 97 CO -0.07 0.06 -0.05 -0.89 -0.54 0.00 0.00 174.62 173.12 2wvb s THR 98 N -0.94 0.58 -0.01 3.99 2.01 -0.67 -4.99 115.64 115.60 2wvb s THR 98 Ca 0.05 -0.18 0.03 0.00 0.31 0.00 0.00 61.69 61.90 2wvb s THR 98 Cb -0.09 -0.58 -0.01 0.00 0.01 0.00 0.00 72.50 71.84 2wvb s THR 98 CO 0.02 0.22 -0.09 0.00 -0.69 0.00 0.00 174.62 174.09 2wvb s ALA 99 N 0.72 0.78 0.07 7.40 0.00 -1.26 -0.71 121.76 128.76 2wvb s ALA 99 Ca -0.10 -0.38 0.04 0.00 0.00 0.00 0.00 51.96 51.52 2wvb s ALA 99 Cb -0.13 -0.22 -0.03 0.00 0.00 0.00 0.00 23.12 22.74 2wvb s ALA 99 CO 0.00 0.18 -0.12 0.96 0.00 0.00 0.00 175.76 176.78 2wvb s ILE 100 N -0.14 0.99 0.06 0.00 -4.36 -0.19 -4.98 121.20 112.58 2wvb s ILE 100 Ca 0.02 -1.35 -0.30 0.00 -0.26 0.00 0.00 60.65 58.76 2wvb s ILE 100 Cb -0.04 -1.07 -0.05 0.00 1.25 0.00 0.00 42.46 42.55 2wvb s ILE 100 CO -0.00 -0.33 1.03 0.00 0.24 0.00 0.00 174.94 175.88 2wvb s ALA 101 N -1.57 3.25 -0.09 2.27 0.00 -1.26 -0.60 121.76 123.76 2wvb s ALA 101 Ca -0.01 0.64 -0.02 0.00 0.00 0.00 0.00 51.96 52.56 2wvb s ALA 101 Cb -0.08 -3.34 -0.26 0.00 0.00 0.00 0.00 23.12 19.44 2wvb s ALA 101 CO 0.02 -0.20 0.49 0.52 0.00 0.00 0.00 175.76 176.58 2wvb h MET 102 N 6.24 0.22 0.00 0.00 0.00 -1.05 -3.47 114.93 116.87 2wvb h MET 102 Ca -0.42 -0.37 0.00 0.00 0.00 0.00 0.00 59.70 58.91 2wvb h MET 102 Cb 1.22 0.14 0.00 0.00 0.00 0.00 0.00 31.60 32.95 2wvb h MET 102 CO 0.75 1.05 0.00 -0.40 0.00 0.00 0.00 176.91 178.31 2wvb n ASP 103 N -3.39 0.00 0.11 1.22 5.68 -1.12 -4.99 116.55 114.06 2wvb n ASP 103 Ca -0.27 -0.54 0.12 0.00 -0.50 0.00 0.00 54.79 53.59 2wvb n ASP 103 Cb 1.05 0.00 0.46 0.00 -1.14 0.00 0.00 41.12 41.49 2wvb n ASP 103 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 2wvb n GLU 104 N 0.00 0.18 -0.05 0.11 -0.00 -1.26 -3.82 120.64 115.80 2wvb n GLU 104 Ca 0.00 0.36 -0.08 0.00 -0.00 0.00 0.00 57.16 57.44 2wvb n GLU 104 Cb 0.00 -1.81 -0.05 0.00 -0.00 0.00 0.00 31.44 29.58 2wvb n GLU 104 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 2wvb n HIS 105 N -2.15 0.00 -4.24 -1.84 8.25 -1.26 -4.93 115.22 109.05 2wvb n HIS 105 Ca 0.03 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.18 2wvb n HIS 105 Cb 0.26 -0.40 -0.09 0.00 1.12 0.00 0.00 29.99 30.89 2wvb n HIS 105 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 2wvb s ASN 106 N -5.18 4.85 0.19 0.41 0.01 -1.25 -1.30 114.94 112.67 2wvb s ASN 106 Ca -0.14 -0.18 0.09 0.00 -0.71 0.00 0.00 52.86 51.92 2wvb s ASN 106 Cb 0.04 -1.13 -0.04 0.00 0.41 0.00 0.00 41.25 40.52 2wvb s ASN 106 CO 0.23 0.21 -0.18 -0.44 -1.51 0.00 0.00 177.10 175.41 2wvb s SER 107 N -2.00 2.83 -0.10 -1.22 0.01 -0.18 -0.39 113.70 112.66 2wvb s SER 107 Ca 0.22 -0.90 0.03 0.00 1.31 0.00 0.00 55.95 56.61 2wvb s SER 107 Cb -0.11 -0.18 -0.01 0.00 0.21 0.00 0.00 66.02 65.93 2wvb s SER 107 CO 0.14 -0.03 -0.21 -0.22 0.41 0.00 0.00 173.24 173.32 2wvb s LEU 108 N -2.85 2.26 -0.02 2.44 0.20 0.23 -1.36 118.68 119.58 2wvb s LEU 108 Ca 0.19 -0.48 0.08 0.00 0.69 0.00 0.00 54.13 54.60 2wvb s LEU 108 Cb -0.05 -1.45 -0.02 0.00 -0.43 0.00 0.00 46.19 44.24 2wvb s LEU 108 CO 0.08 0.19 -0.25 -0.70 -0.29 0.00 0.00 176.35 175.37 2wvb s GLU 109 N 0.19 2.08 -0.12 1.98 2.12 0.54 -1.02 118.70 124.48 2wvb s GLU 109 Ca -0.13 -0.90 -0.00 0.00 0.36 0.00 0.00 54.97 54.30 2wvb s GLU 109 Cb -0.16 -1.98 -0.02 0.00 0.26 0.00 0.00 34.13 32.22 2wvb s GLU 109 CO 0.07 0.53 -0.11 0.95 -0.54 0.00 0.00 175.26 176.16 2wvb s THR 110 N -0.55 3.29 -0.20 -1.70 -4.23 0.11 -0.96 115.64 111.41 2wvb s THR 110 Ca 0.08 -0.59 -0.01 0.00 -1.18 0.00 0.00 61.69 59.99 2wvb s THR 110 Cb -0.10 -2.38 0.01 0.00 1.34 0.00 0.00 72.50 71.37 2wvb s THR 110 CO -0.01 0.53 -0.13 -0.63 -0.54 0.00 0.00 174.62 173.85 2wvb s ILE 111 N 0.09 2.62 -0.21 2.99 1.01 0.46 -1.68 121.20 126.49 2wvb s ILE 111 Ca -0.04 -0.77 -0.09 0.00 0.00 0.00 0.00 60.65 59.75 2wvb s ILE 111 Cb -0.14 -2.16 -0.05 0.00 0.01 0.00 0.00 42.46 40.12 2wvb s ILE 111 CO 0.04 0.47 0.11 -0.63 0.00 0.00 0.00 174.94 174.93 2wvb s ILE 112 N 1.37 5.09 0.19 2.92 1.01 -0.53 -0.58 121.20 130.66 2wvb s ILE 112 Ca 0.05 0.08 -0.12 0.00 0.00 0.00 0.00 60.65 60.66 2wvb s ILE 112 Cb -0.14 -3.33 0.00 0.00 0.01 0.00 0.00 42.46 39.01 2wvb s ILE 112 CO -0.09 0.42 0.38 -1.48 0.00 0.00 0.00 174.94 174.17 2wvb s LEU 113 N 0.60 0.62 -0.00 2.97 2.34 -0.44 -0.01 118.68 124.76 2wvb s LEU 113 Ca 0.06 -0.80 0.03 0.00 0.06 0.00 0.00 54.13 53.48 2wvb s LEU 113 Cb -0.12 1.52 -0.01 0.00 -0.56 0.00 0.00 46.19 47.02 2wvb s LEU 113 CO 0.01 -0.98 -0.09 0.00 -1.06 0.00 0.00 176.35 174.23 2wvb s GLN 114 N -3.96 0.71 -0.03 1.48 -2.07 -0.08 -0.85 119.66 114.86 2wvb s GLN 114 Ca 0.17 -0.37 -0.27 0.00 -1.82 0.00 0.00 55.36 53.07 2wvb s GLN 114 Cb 0.02 -0.67 0.09 0.00 -1.09 0.00 0.00 33.01 31.35 2wvb s GLN 114 CO 0.01 0.18 1.22 0.41 -1.32 0.00 0.00 175.29 175.79 2wvb n GLY 115 N 2.72 0.22 3.96 2.60 0.00 -0.67 -0.37 105.19 113.64 2wvb n GLY 115 Ca -0.14 -1.03 -0.26 0.00 0.00 0.00 0.00 46.02 44.59 2wvb n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wvb s ASN 116 N -3.69 4.27 0.26 1.61 2.20 -1.26 -0.75 114.94 117.57 2wvb s ASN 116 Ca 0.29 0.06 -0.03 0.00 -0.94 0.00 0.00 52.86 52.24 2wvb s ASN 116 Cb -0.01 -0.49 0.39 0.00 -2.00 0.00 0.00 41.25 39.15 2wvb s ASN 116 CO -0.01 -1.93 1.87 0.28 -2.94 0.00 0.00 177.10 174.36 2wvb h SER 117 N -0.77 0.96 -0.34 3.54 0.02 -1.64 -2.13 113.55 113.18 2wvb h SER 117 Ca -0.41 0.02 -0.09 0.00 -0.84 0.00 0.00 61.79 60.46 2wvb h SER 117 Cb 1.28 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.62 2wvb h SER 117 CO 0.47 0.60 -0.14 -0.26 -1.14 0.00 0.00 176.83 176.36 2wvb h PHE 118 N 1.09 0.80 -0.45 3.45 -1.00 -1.94 -2.01 116.94 116.88 2wvb h PHE 118 Ca 0.42 -0.19 -0.08 0.00 2.81 0.00 0.00 57.97 60.92 2wvb h PHE 118 Cb 0.19 -0.19 -0.02 0.00 3.61 0.00 0.00 35.95 39.55 2wvb h PHE 118 CO -0.01 0.89 -0.05 0.93 -1.61 0.00 0.00 178.31 178.46 2wvb h GLU 119 N 0.48 0.82 -0.28 1.51 5.08 -1.87 -2.15 114.58 118.17 2wvb h GLU 119 Ca 0.08 -0.29 -0.15 0.00 -1.00 0.00 0.00 59.36 58.01 2wvb h GLU 119 Cb 0.67 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.85 2wvb h GLU 119 CO 0.05 0.90 -0.40 0.82 -1.00 0.00 0.00 179.01 179.38 2wvb h ILE 120 N 0.66 1.30 -0.54 3.13 2.04 -1.38 -2.16 117.51 120.55 2wvb h ILE 120 Ca 0.12 -1.59 -0.06 0.00 1.00 0.00 0.00 64.86 64.33 2wvb h ILE 120 Cb 0.56 1.64 -0.02 0.00 -0.74 0.00 0.00 36.82 38.26 2wvb h ILE 120 CO 0.03 0.51 0.11 -0.61 0.00 0.00 0.00 178.15 178.19 2wvb h GLN 121 N 0.52 0.85 -0.57 2.37 5.75 -1.34 -1.87 115.11 120.82 2wvb h GLN 121 Ca 0.03 -0.19 -0.11 0.00 -0.15 0.00 0.00 58.65 58.24 2wvb h GLN 121 Cb 1.00 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 29.41 2wvb h GLN 121 CO 0.09 0.78 -0.06 -0.09 -2.65 0.00 0.00 178.83 176.90 2wvb h ARG 122 N 0.81 1.05 -0.32 1.69 2.43 -1.30 -1.83 114.38 116.91 2wvb h ARG 122 Ca 0.17 -0.36 -0.01 0.00 -0.81 0.00 0.00 59.98 58.97 2wvb h ARG 122 Cb 0.33 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.79 2wvb h ARG 122 CO 0.00 1.06 0.16 1.25 -1.51 0.00 0.00 179.97 180.93 2wvb h LEU 123 N 0.93 0.42 -0.41 3.80 5.85 -1.05 -0.43 115.31 124.43 2wvb h LEU 123 Ca 0.15 -0.12 0.04 0.00 0.84 0.00 0.00 57.88 58.79 2wvb h LEU 123 Cb 0.63 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.51 2wvb h LEU 123 CO 0.04 0.42 0.19 -0.61 -0.34 0.00 0.00 178.44 178.14 2wvb h GLN 124 N 0.39 0.38 -0.42 1.25 4.15 -1.16 -1.27 115.11 118.43 2wvb h GLN 124 Ca 0.11 -0.02 -0.12 0.00 0.77 0.00 0.00 58.65 59.39 2wvb h GLN 124 Cb 0.11 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.70 2wvb h GLN 124 CO -0.01 0.25 -0.20 -0.07 -1.93 0.00 0.00 178.83 176.87 2wvb h LEU 125 N 0.39 0.90 0.09 -2.39 3.38 -1.15 0.26 115.31 116.78 2wvb h LEU 125 Ca 0.18 -0.40 -0.00 0.00 0.09 0.00 0.00 57.88 57.74 2wvb h LEU 125 Cb 0.10 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.60 2wvb h LEU 125 CO -0.14 1.10 -0.04 -0.33 0.09 0.00 0.00 178.44 179.12 2wvb h GLU 126 N 0.69 -0.11 -0.23 1.13 5.08 -0.95 -2.07 114.58 118.12 2wvb h GLU 126 Ca 0.09 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2wvb h GLU 126 Cb 0.76 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 2wvb h GLU 126 CO 0.06 -0.00 0.15 0.82 -1.00 0.00 0.00 179.01 179.04 2wvb h ILE 127 N -0.20 1.08 -0.16 3.13 1.08 -1.25 -2.88 117.51 118.32 2wvb h ILE 127 Ca -0.01 -0.17 0.05 0.00 -0.39 0.00 0.00 64.86 64.33 2wvb h ILE 127 Cb 0.16 0.77 -0.01 0.00 -3.07 0.00 0.00 36.82 34.68 2wvb h ILE 127 CO 0.02 0.08 0.16 1.23 -0.69 0.00 0.00 178.15 178.94 2wvb h GLY 128 N 0.30 0.00 0.71 5.37 0.00 -0.89 -2.17 103.07 106.39 2wvb h GLY 128 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.41 2wvb h GLY 128 CO -0.02 0.00 -0.12 0.61 0.00 0.00 0.00 176.54 177.01 2wvb n GLY 129 N -1.44 -0.83 3.75 4.60 0.00 -0.78 -4.85 105.19 105.64 2wvb n GLY 129 Ca 0.01 -0.30 -0.40 0.00 0.00 0.00 0.00 46.02 45.33 2wvb n GLY 129 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wvb s LEU 130 N -2.43 4.57 0.17 0.99 1.43 -0.82 -4.98 118.68 117.61 2wvb s LEU 130 Ca 0.30 2.12 -0.32 0.00 -1.03 0.00 0.00 54.13 55.19 2wvb s LEU 130 Cb 0.20 -3.62 -0.12 0.00 0.03 0.00 0.00 46.19 42.69 2wvb s LEU 130 CO 0.47 -0.06 1.75 -1.14 0.23 0.00 0.00 176.35 177.60 2wvb n ARG 131 N 1.57 2.70 0.00 1.70 0.63 -1.26 -1.64 116.66 120.36 2wvb n ARG 131 Ca -0.01 0.98 0.00 0.00 -0.92 0.00 0.00 57.85 57.90 2wvb n ARG 131 Cb 0.46 -2.83 0.00 0.00 0.45 0.00 0.00 32.46 30.54 2wvb n ARG 131 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2wvb n GLY 132 N 4.01 2.73 3.67 5.14 0.00 -1.26 -4.96 105.19 114.52 2wvb n GLY 132 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 2wvb n GLY 132 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wvb s VAL 133 N -2.72 4.90 -0.01 1.61 1.01 -0.65 -0.52 120.40 124.02 2wvb s VAL 133 Ca 0.00 1.57 0.04 0.00 0.00 0.00 0.00 61.98 63.58 2wvb s VAL 133 Cb 0.00 -4.11 -0.25 0.00 0.00 0.00 0.00 36.38 32.02 2wvb s VAL 133 CO 0.00 0.05 0.80 0.11 0.00 0.00 0.00 175.10 176.05 2wvb h LYS 134 N 7.33 0.12 -2.00 2.72 1.79 -0.69 -3.46 116.57 122.38 2wvb h LYS 134 Ca -0.30 -0.21 0.20 0.00 -2.18 0.00 0.00 60.65 58.16 2wvb h LYS 134 Cb 1.13 0.08 -0.13 0.00 -1.58 0.00 0.00 32.23 31.73 2wvb h LYS 134 CO 0.83 0.88 0.61 -0.59 -1.08 0.00 0.00 179.45 180.10 2wvb s PHE 135 N -2.62 -0.18 -0.22 -1.35 -0.12 -1.12 -4.97 117.98 107.40 2wvb s PHE 135 Ca -0.07 0.02 -0.04 0.00 -0.05 0.00 0.00 56.93 56.79 2wvb s PHE 135 Cb 0.08 0.57 0.09 0.00 -0.63 0.00 0.00 43.02 43.13 2wvb s PHE 135 CO 0.83 -0.52 0.18 0.00 -0.05 0.00 0.00 175.22 175.66 2wvb s ALA 136 N -2.92 0.04 -0.11 1.99 0.00 -1.25 -1.95 121.76 117.55 2wvb s ALA 136 Ca 0.10 -0.22 0.01 0.00 0.00 0.00 0.00 51.96 51.85 2wvb s ALA 136 Cb -0.00 -1.34 -0.02 0.00 0.00 0.00 0.00 23.12 21.77 2wvb s ALA 136 CO -0.04 -1.36 -0.14 0.15 0.00 0.00 0.00 175.76 174.37 2wvb s LYS 137 N 2.24 3.18 -0.15 0.00 1.02 0.35 -4.89 119.74 121.48 2wvb s LYS 137 Ca 0.06 -0.71 -0.08 0.00 0.02 0.00 0.00 55.97 55.27 2wvb s LYS 137 Cb -0.16 -2.55 -0.04 0.00 -0.52 0.00 0.00 37.83 34.57 2wvb s LYS 137 CO -0.19 0.29 0.12 -1.17 -0.92 0.00 0.00 175.35 173.47 2wvb s LEU 138 N 0.14 4.19 -0.20 3.17 2.96 -1.26 -0.86 118.68 126.82 2wvb s LEU 138 Ca -0.07 0.31 -0.01 0.00 -0.22 0.00 0.00 54.13 54.13 2wvb s LEU 138 Cb -0.15 -2.04 0.01 0.00 0.50 0.00 0.00 46.19 44.50 2wvb s LEU 138 CO 0.05 0.30 -0.13 -0.89 -1.32 0.00 0.00 176.35 174.36 2wvb s THR 139 N -0.35 2.68 -0.18 3.68 2.01 0.48 -4.99 115.64 118.97 2wvb s THR 139 Ca 0.11 -0.73 -0.06 0.00 0.31 0.00 0.00 61.69 61.32 2wvb s THR 139 Cb -0.12 -2.18 -0.03 0.00 0.01 0.00 0.00 72.50 70.18 2wvb s THR 139 CO 0.01 0.49 0.03 -0.75 -0.69 0.00 0.00 174.62 173.70 2wvb s LYS 140 N 1.37 3.81 -0.81 4.92 2.20 -1.26 -0.91 119.74 129.05 2wvb s LYS 140 Ca 0.05 -0.43 0.02 0.00 -0.36 0.00 0.00 55.97 55.25 2wvb s LYS 140 Cb -0.14 -3.12 0.27 0.00 -1.51 0.00 0.00 37.83 33.34 2wvb s LYS 140 CO -0.08 0.19 1.03 0.00 -0.36 0.00 0.00 175.35 176.13 2wvb n ALA 141 N 3.76 4.50 1.88 3.13 0.00 -0.49 -5.02 120.51 128.27 2wvb n ALA 141 Ca -0.17 -4.79 0.16 0.00 0.00 0.00 0.00 53.44 48.64 2wvb n ALA 141 Cb 0.52 -1.47 0.85 0.00 0.00 0.00 0.00 19.45 19.35 2wvb n ALA 141 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95