#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfm n SER 2 N 0.00 1.96 -3.58 1.61 3.41 -1.26 -4.87 113.62 110.89 1wfm n SER 2 Ca 0.00 0.72 -0.08 0.00 -0.26 0.00 0.00 58.87 59.25 1wfm n SER 2 Cb 0.00 -1.14 -0.04 0.00 -0.26 0.00 0.00 64.21 62.77 1wfm n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1wfm s SER 3 N 5.60 -0.29 0.00 4.04 1.04 -1.26 -5.18 113.70 117.65 1wfm s SER 3 Ca 1.07 0.24 -0.17 0.00 0.48 0.00 0.00 55.95 57.58 1wfm s SER 3 Cb -1.07 0.25 0.03 0.00 0.10 0.00 0.00 66.02 65.33 1wfm s SER 3 CO 0.59 -0.32 0.36 -0.83 0.98 0.00 0.00 173.24 174.02 1wfm s GLY 4 N -1.42 -0.21 0.25 7.32 0.00 -1.26 -5.18 107.32 106.83 1wfm s GLY 4 Ca 0.02 0.35 -0.20 0.00 0.00 0.00 0.00 44.72 44.89 1wfm s GLY 4 CO -0.02 0.12 0.66 -0.56 0.00 0.00 0.00 173.10 173.29 1wfm s SER 5 N -1.58 -0.28 0.22 1.64 0.01 -1.26 -5.19 113.70 107.27 1wfm s SER 5 Ca -0.10 -0.55 0.01 0.00 1.31 0.00 0.00 55.95 56.62 1wfm s SER 5 Cb -0.03 0.68 -0.05 0.00 0.21 0.00 0.00 66.02 66.83 1wfm s SER 5 CO 0.02 -1.25 0.08 -0.55 0.41 0.00 0.00 173.24 171.96 1wfm s SER 6 N -2.90 0.95 0.00 2.44 0.15 -1.26 -5.17 113.70 107.91 1wfm s SER 6 Ca 0.11 -1.33 0.00 0.00 0.70 0.00 0.00 55.95 55.43 1wfm s SER 6 Cb -0.04 0.20 0.00 0.00 -1.71 0.00 0.00 66.02 64.47 1wfm s SER 6 CO 0.04 -0.72 0.00 0.61 1.20 0.00 0.00 173.24 174.37 1wfm n GLY 7 N -0.36 3.65 3.54 9.45 0.00 -1.26 -5.19 105.19 115.03 1wfm n GLY 7 Ca -0.01 -1.06 -0.25 0.00 0.00 0.00 0.00 46.02 44.70 1wfm n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wfm s SER 8 N 1.14 3.17 0.02 1.61 0.01 -1.26 -5.15 113.70 113.25 1wfm s SER 8 Ca 0.00 -1.39 0.09 0.00 1.31 0.00 0.00 55.95 55.96 1wfm s SER 8 Cb 0.00 -0.22 -0.03 0.00 0.21 0.00 0.00 66.02 65.99 1wfm s SER 8 CO 0.00 -0.54 -0.26 0.26 0.41 0.00 0.00 173.24 173.11 1wfm s TRP 9 N -2.99 2.30 -0.10 2.43 0.51 -1.26 -5.11 118.94 114.72 1wfm s TRP 9 Ca 0.35 -0.42 -0.31 0.00 -2.12 0.00 0.00 56.10 53.60 1wfm s TRP 9 Cb 0.09 -1.41 0.11 0.00 -0.81 0.00 0.00 33.47 31.45 1wfm s TRP 9 CO 0.16 0.07 1.39 -0.80 -0.51 0.00 0.00 176.95 177.26 1wfm s ASN 10 N -1.03 0.00 1.03 2.95 0.01 -1.26 -5.16 114.94 111.48 1wfm s ASN 10 Ca 0.11 -0.00 -0.18 0.00 -0.71 0.00 0.00 52.86 52.08 1wfm s ASN 10 Cb -0.10 0.00 0.01 0.00 0.41 0.00 0.00 41.25 41.57 1wfm s ASN 10 CO 0.01 -0.00 -0.19 1.67 -1.51 0.00 0.00 177.10 177.08 1wfm n GLN 11 N -0.94 -0.74 -3.16 -0.60 7.27 -1.26 -4.96 117.38 112.98 1wfm n GLN 11 Ca 0.05 -0.20 -0.29 0.00 0.07 0.00 0.00 57.00 56.64 1wfm n GLN 11 Cb 0.59 -1.56 -0.03 0.00 2.41 0.00 0.00 30.24 31.64 1wfm n GLN 11 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1wfm s ALA 12 N -2.22 3.53 0.30 1.69 0.00 -1.26 -5.06 121.76 118.74 1wfm s ALA 12 Ca 0.51 -0.45 -0.28 0.00 0.00 0.00 0.00 51.96 51.74 1wfm s ALA 12 Cb -0.12 -2.44 -0.09 0.00 0.00 0.00 0.00 23.12 20.46 1wfm s ALA 12 CO 0.69 0.14 1.07 -1.25 0.00 0.00 0.00 175.76 176.41 1wfm s PRO 13 N -3.70 4.55 0.07 0.00 0.04 -1.26 -4.94 135.00 129.76 1wfm s PRO 13 Ca 0.46 1.71 0.04 0.00 0.04 0.00 0.00 61.00 63.26 1wfm s PRO 13 Cb -0.11 -3.05 -0.04 0.00 0.04 0.00 0.00 34.50 31.34 1wfm s PRO 13 CO 0.31 0.16 -0.03 0.15 0.04 0.00 0.00 177.00 177.63 1wfm s LYS 14 N -1.66 2.51 -0.13 4.56 1.02 -0.83 0.32 119.74 125.54 1wfm s LYS 14 Ca 0.47 -0.82 -0.09 0.00 0.02 0.00 0.00 55.97 55.55 1wfm s LYS 14 Cb -0.29 -2.51 0.04 0.00 -0.52 0.00 0.00 37.83 34.54 1wfm s LYS 14 CO 0.37 0.56 0.32 -1.17 -0.92 0.00 0.00 175.35 174.51 1wfm s LEU 15 N -2.05 0.46 -0.09 3.17 1.98 0.21 0.61 118.68 122.97 1wfm s LEU 15 Ca 0.23 0.67 -0.00 0.00 -2.89 0.00 0.00 54.13 52.14 1wfm s LEU 15 Cb -0.11 1.06 -0.03 0.00 0.66 0.00 0.00 46.19 47.76 1wfm s LEU 15 CO 0.15 -0.15 -0.06 -2.28 -1.89 0.00 0.00 176.35 172.12 1wfm s HIS 16 N 0.78 2.96 0.00 5.38 5.65 -0.10 0.47 115.29 130.43 1wfm s HIS 16 Ca -0.05 -0.07 -0.12 0.00 0.25 0.00 0.00 55.06 55.07 1wfm s HIS 16 Cb -0.06 -1.77 0.01 0.00 -1.18 0.00 0.00 32.58 29.58 1wfm s HIS 16 CO -0.05 0.24 0.25 1.52 -0.65 0.00 0.00 174.74 176.05 1wfm s TYR 17 N -0.52 -0.09 -0.32 3.88 -0.85 -1.07 -2.70 117.35 115.68 1wfm s TYR 17 Ca 0.08 0.08 0.02 0.00 -0.52 0.00 0.00 57.07 56.72 1wfm s TYR 17 Cb -0.12 0.04 0.10 0.00 0.38 0.00 0.00 41.96 42.36 1wfm s TYR 17 CO 0.02 -0.38 0.06 0.00 -1.52 0.00 0.00 175.55 173.73 1wfm s LEU 19 N 1.25 4.56 -0.30 0.00 1.43 -1.26 -0.53 118.68 123.83 1wfm s LEU 19 Ca 0.09 2.16 -0.08 0.00 -1.03 0.00 0.00 54.13 55.28 1wfm s LEU 19 Cb -0.18 -3.62 0.15 0.00 0.03 0.00 0.00 46.19 42.57 1wfm s LEU 19 CO -0.15 -0.10 0.67 -1.81 0.23 0.00 0.00 176.35 175.19 1wfm s ASP 20 N -0.76 -1.16 -0.31 2.29 1.01 -0.07 0.19 116.67 117.86 1wfm s ASP 20 Ca 0.45 1.25 -0.10 0.00 0.71 0.00 0.00 52.55 54.85 1wfm s ASP 20 Cb -0.30 2.18 -0.01 0.00 1.01 0.00 0.00 42.92 45.80 1wfm s ASP 20 CO 0.38 -0.22 0.17 -0.47 0.21 0.00 0.00 175.17 175.24 1wfm s TYR 21 N 2.85 3.19 -0.97 4.23 5.04 -1.26 0.34 117.35 130.77 1wfm s TYR 21 Ca 0.03 -0.43 -0.14 0.00 -2.44 0.00 0.00 57.07 54.09 1wfm s TYR 21 Cb -0.12 -2.38 0.20 0.00 0.35 0.00 0.00 41.96 40.01 1wfm s TYR 21 CO -0.19 -0.41 1.04 0.34 -1.34 0.00 0.00 175.55 174.99 1wfm s ASP 22 N 1.65 6.89 0.42 4.32 -1.08 -1.22 -4.86 116.67 122.79 1wfm s ASP 22 Ca 0.05 -2.74 0.29 0.00 -0.52 0.00 0.00 52.55 49.63 1wfm s ASP 22 Cb -0.17 -2.29 1.44 0.00 -1.46 0.00 0.00 42.92 40.44 1wfm s ASP 22 CO 0.07 -0.68 1.59 0.00 0.52 0.00 0.00 175.17 176.68 1wfm h GLN 24 N 0.04 0.16 0.00 0.00 4.20 -1.98 -1.86 115.11 115.67 1wfm h GLN 24 Ca 0.86 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 59.54 1wfm h GLN 24 Cb 2.61 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 30.36 1wfm h GLN 24 CO -0.52 0.11 -0.91 0.87 -0.67 0.00 0.00 178.83 177.70 1wfm h LYS 25 N 0.17 0.00 -5.38 1.46 1.57 0.23 -3.47 116.57 111.14 1wfm h LYS 25 Ca 0.18 0.00 -0.40 0.00 -1.87 0.00 0.00 60.65 58.56 1wfm h LYS 25 Cb 0.22 0.00 0.12 0.00 0.08 0.00 0.00 32.23 32.65 1wfm h LYS 25 CO -0.26 0.02 -0.65 0.00 -0.57 0.00 0.00 179.45 178.00 1wfm n ALA 26 N -2.19 -1.20 -3.72 3.86 0.00 0.72 -4.93 120.51 113.07 1wfm n ALA 26 Ca -0.00 0.37 -0.18 0.00 0.00 0.00 0.00 53.44 53.63 1wfm n ALA 26 Cb 0.57 -5.02 -0.17 0.00 0.00 0.00 0.00 19.45 14.83 1wfm n ALA 26 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1wfm s GLU 27 N -6.13 -0.05 0.31 0.00 2.02 -1.24 -1.32 118.70 112.29 1wfm s GLU 27 Ca 0.50 0.29 -0.29 0.00 0.02 0.00 0.00 54.97 55.49 1wfm s GLU 27 Cb -0.22 -0.40 -0.10 0.00 0.10 0.00 0.00 34.13 33.51 1wfm s GLU 27 CO 0.62 -0.25 1.28 -1.17 0.02 0.00 0.00 175.26 175.75 1wfm s LEU 28 N 1.66 4.44 0.09 1.80 1.98 0.53 -3.41 118.68 125.77 1wfm s LEU 28 Ca -0.02 2.61 0.10 0.00 -2.89 0.00 0.00 54.13 53.93 1wfm s LEU 28 Cb -0.12 -3.64 -0.04 0.00 0.66 0.00 0.00 46.19 43.05 1wfm s LEU 28 CO -0.03 -0.48 -0.25 -0.36 -1.89 0.00 0.00 176.35 173.34 1wfm s PHE 29 N -1.02 2.35 -0.53 5.38 0.40 0.15 0.19 117.98 124.90 1wfm s PHE 29 Ca 0.49 -0.37 0.06 0.00 -0.60 0.00 0.00 56.93 56.51 1wfm s PHE 29 Cb -0.38 -1.32 0.23 0.00 0.51 0.00 0.00 43.02 42.06 1wfm s PHE 29 CO 0.50 0.27 0.58 0.28 0.70 0.00 0.00 175.22 177.55 1wfm n VAL 30 N 1.24 0.72 -2.00 -0.44 0.31 0.46 -0.89 118.33 117.72 1wfm n VAL 30 Ca -0.17 -4.52 -0.29 0.00 -0.01 0.00 0.00 64.34 59.35 1wfm n VAL 30 Cb 0.53 -2.01 0.19 0.00 -0.91 0.00 0.00 33.84 31.64 1wfm n VAL 30 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1wfm s THR 31 N -1.57 2.00 -0.39 2.52 -4.23 0.31 -1.76 115.64 112.52 1wfm s THR 31 Ca 0.35 -0.06 -0.16 0.00 -1.18 0.00 0.00 61.69 60.65 1wfm s THR 31 Cb 0.12 -2.95 0.02 0.00 1.34 0.00 0.00 72.50 71.03 1wfm s THR 31 CO -0.09 0.00 0.46 0.54 -0.54 0.00 0.00 174.62 174.99 1wfm n ARG 32 N -3.74 -2.42 -4.28 3.99 5.12 -1.26 0.21 116.66 114.28 1wfm n ARG 32 Ca 0.16 2.07 -0.34 0.00 -1.93 0.00 0.00 57.85 57.81 1wfm n ARG 32 Cb 0.59 -4.76 -0.13 0.00 -1.16 0.00 0.00 32.46 27.00 1wfm n ARG 32 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1wfm s LEU 33 N -2.31 3.10 -0.29 0.55 1.43 -1.25 -2.60 118.68 117.31 1wfm s LEU 33 Ca 0.21 -0.23 0.04 0.00 -1.03 0.00 0.00 54.13 53.12 1wfm s LEU 33 Cb -0.05 -1.76 0.18 0.00 0.03 0.00 0.00 46.19 44.59 1wfm s LEU 33 CO 0.75 0.10 0.50 -1.61 0.23 0.00 0.00 176.35 176.32 1wfm s GLU 34 N 0.74 0.48 0.43 1.70 2.02 -1.10 -1.98 118.70 121.00 1wfm s GLU 34 Ca -0.02 0.35 -0.13 0.00 0.02 0.00 0.00 54.97 55.20 1wfm s GLU 34 Cb -0.15 -0.03 -0.07 0.00 0.10 0.00 0.00 34.13 33.98 1wfm s GLU 34 CO 0.02 -1.03 0.83 0.00 0.02 0.00 0.00 175.26 175.10 1wfm s ALA 35 N 2.68 3.26 -0.42 5.21 0.00 -1.06 -0.92 121.76 130.52 1wfm s ALA 35 Ca 0.10 -0.06 0.06 0.00 0.00 0.00 0.00 51.96 52.06 1wfm s ALA 35 Cb -0.11 -2.83 0.21 0.00 0.00 0.00 0.00 23.12 20.39 1wfm s ALA 35 CO -0.28 -0.04 0.45 0.28 0.00 0.00 0.00 175.76 176.17 1wfm n VAL 36 N -1.28 -0.76 -3.46 0.00 0.31 0.20 -3.02 118.33 110.32 1wfm n VAL 36 Ca 0.04 -3.82 -0.13 0.00 -0.01 0.00 0.00 64.34 60.42 1wfm n VAL 36 Cb 0.54 -1.83 -0.03 0.00 -0.91 0.00 0.00 33.84 31.60 1wfm n VAL 36 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1wfm s THR 37 N -0.68 0.00 -0.10 2.52 -1.32 -1.23 -1.97 115.64 112.86 1wfm s THR 37 Ca 0.34 -0.04 0.03 0.00 -1.21 0.00 0.00 61.69 60.82 1wfm s THR 37 Cb 0.11 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.10 1wfm s THR 37 CO -0.15 -0.02 -0.21 -0.94 -2.21 0.00 0.00 174.62 171.09 1wfm s SER 38 N -2.34 2.82 -0.06 8.08 1.04 -1.26 -4.65 113.70 117.33 1wfm s SER 38 Ca -0.02 -0.51 -0.21 0.00 0.48 0.00 0.00 55.95 55.69 1wfm s SER 38 Cb -0.01 -1.29 0.04 0.00 0.10 0.00 0.00 66.02 64.87 1wfm s SER 38 CO -0.07 0.12 0.48 0.21 0.98 0.00 0.00 173.24 174.96 1wfm s ASN 39 N 0.48 -0.42 0.61 7.02 3.84 -1.26 -5.13 114.94 120.09 1wfm s ASN 39 Ca -0.16 0.48 0.00 0.00 0.21 0.00 0.00 52.86 53.39 1wfm s ASN 39 Cb -0.17 0.53 0.00 0.00 -0.55 0.00 0.00 41.25 41.05 1wfm s ASN 39 CO 0.06 -0.46 0.00 1.41 -2.79 0.00 0.00 177.10 175.33 1wfm n HIS 40 N 1.42 -3.95 -3.67 0.43 8.25 -1.26 -5.01 115.22 111.43 1wfm n HIS 40 Ca -0.19 2.16 -0.13 0.00 -0.26 0.00 0.00 57.72 59.30 1wfm n HIS 40 Cb 0.56 -3.60 -0.08 0.00 1.12 0.00 0.00 29.99 28.00 1wfm n HIS 40 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1wfm s ASP 41 N -7.34 -0.63 0.00 0.41 -1.08 -1.26 -4.97 116.67 101.80 1wfm s ASP 41 Ca 0.00 1.20 0.00 0.00 -0.52 0.00 0.00 52.55 53.23 1wfm s ASP 41 Cb 0.00 1.20 0.00 0.00 -1.46 0.00 0.00 42.92 42.66 1wfm s ASP 41 CO 0.00 -0.21 0.00 0.61 0.52 0.00 0.00 175.17 176.09 1wfm n GLY 42 N 2.92 3.63 0.00 2.66 0.00 -1.26 -4.95 105.19 108.19 1wfm n GLY 42 Ca -0.14 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.16 1wfm n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wfm n GLY 43 N 0.00 -0.87 3.16 -0.02 0.00 -1.26 -5.17 105.19 101.03 1wfm n GLY 43 Ca 0.00 0.62 -0.24 0.00 0.00 0.00 0.00 46.02 46.41 1wfm n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wfm s ASP 45 N -0.59 6.20 0.23 0.00 1.01 -1.26 -3.24 116.67 119.02 1wfm s ASP 45 Ca 0.06 -1.18 -0.19 0.00 0.71 0.00 0.00 52.55 51.95 1wfm s ASP 45 Cb -0.07 -2.27 -0.08 0.00 1.01 0.00 0.00 42.92 41.51 1wfm s ASP 45 CO -0.00 -0.89 0.71 0.00 0.21 0.00 0.00 175.17 175.20 1wfm s TYR 47 N -1.58 -0.36 0.34 0.00 1.13 -0.95 -2.55 117.35 113.38 1wfm s TYR 47 Ca 0.44 0.47 -0.05 0.00 -1.41 0.00 0.00 57.07 56.51 1wfm s TYR 47 Cb -0.16 0.26 -0.05 0.00 -1.10 0.00 0.00 41.96 40.91 1wfm s TYR 47 CO 0.20 -0.55 0.62 0.08 -2.51 0.00 0.00 175.55 173.39 1wfm s VAL 48 N -1.95 4.97 -0.10 -3.49 1.01 -1.26 -1.76 120.40 117.82 1wfm s VAL 48 Ca -0.08 0.12 -0.04 0.00 0.00 0.00 0.00 61.98 61.98 1wfm s VAL 48 Cb -0.02 -3.76 0.05 0.00 0.00 0.00 0.00 36.38 32.65 1wfm s VAL 48 CO 0.02 -0.45 0.19 -1.58 0.00 0.00 0.00 175.10 173.28 1wfm s GLN 49 N -3.83 0.08 -0.20 2.72 0.74 0.44 -2.16 119.66 117.46 1wfm s GLN 49 Ca 0.45 0.58 -0.11 0.00 0.05 0.00 0.00 55.36 56.33 1wfm s GLN 49 Cb -0.10 -0.18 -0.05 0.00 1.10 0.00 0.00 33.01 33.77 1wfm s GLN 49 CO 0.33 -0.27 0.19 0.20 -0.55 0.00 0.00 175.29 175.19 1wfm s GLY 50 N 2.09 2.08 -0.07 2.59 0.00 0.20 0.69 107.32 114.89 1wfm s GLY 50 Ca -0.00 -0.65 0.04 0.00 0.00 0.00 0.00 44.72 44.10 1wfm s GLY 50 CO -0.07 0.30 -0.18 -1.35 0.00 0.00 0.00 173.10 171.80 1wfm s SER 51 N 0.55 2.37 0.20 1.64 1.04 0.44 0.52 113.70 120.46 1wfm s SER 51 Ca 0.11 -0.41 0.11 0.00 0.48 0.00 0.00 55.95 56.24 1wfm s SER 51 Cb -0.12 -0.94 -0.04 0.00 0.10 0.00 0.00 66.02 65.01 1wfm s SER 51 CO 0.01 0.12 -0.22 -0.69 0.98 0.00 0.00 173.24 173.44 1wfm s VAL 52 N 0.34 2.25 -0.17 5.02 1.01 -0.93 0.15 120.40 128.07 1wfm s VAL 52 Ca -0.12 -2.08 -0.04 0.00 0.00 0.00 0.00 61.98 59.74 1wfm s VAL 52 Cb -0.15 -2.10 0.06 0.00 0.00 0.00 0.00 36.38 34.19 1wfm s VAL 52 CO 0.05 -0.22 0.08 0.00 0.00 0.00 0.00 175.10 175.01 1wfm s ALA 53 N -1.92 0.53 0.41 5.51 0.00 -0.90 -0.56 121.76 124.84 1wfm s ALA 53 Ca 0.21 -0.36 0.04 0.00 0.00 0.00 0.00 51.96 51.86 1wfm s ALA 53 Cb -0.07 -1.04 0.04 0.00 0.00 0.00 0.00 23.12 22.06 1wfm s ALA 53 CO 0.10 -1.13 0.34 0.27 0.00 0.00 0.00 175.76 175.34 1wfm n ASN 54 N 5.23 2.23 -0.03 0.00 0.23 -0.74 -2.96 115.26 119.22 1wfm n ASN 54 Ca -0.07 -2.38 0.08 0.00 -0.53 0.00 0.00 54.58 51.68 1wfm n ASN 54 Cb 0.49 -0.06 0.47 0.00 -2.08 0.00 0.00 39.78 38.59 1wfm n ASN 54 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1wfm n ARG 55 N -1.51 1.04 -0.00 -3.83 1.74 -1.25 -2.71 116.66 110.14 1wfm n ARG 55 Ca -0.00 -0.06 0.06 0.00 -0.77 0.00 0.00 57.85 57.07 1wfm n ARG 55 Cb 0.46 -1.26 -0.08 0.00 -1.02 0.00 0.00 32.46 30.56 1wfm n ARG 55 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1wfm n THR 56 N -0.69 0.00 0.00 0.55 -2.24 -1.26 -5.10 114.28 105.55 1wfm n THR 56 Ca 0.12 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 1wfm n THR 56 Cb 0.07 0.44 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 1wfm n THR 56 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wfm n GLY 57 N 1.69 -0.39 3.50 3.38 0.00 -1.10 -5.15 105.19 107.11 1wfm n GLY 57 Ca -0.01 -0.04 -0.09 0.00 0.00 0.00 0.00 46.02 45.88 1wfm n GLY 57 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wfm s SER 58 N -4.00 -0.42 0.33 1.61 1.04 -1.26 -1.79 113.70 109.21 1wfm s SER 58 Ca 0.00 -0.04 0.03 0.00 0.48 0.00 0.00 55.95 56.43 1wfm s SER 58 Cb 0.00 0.47 -0.04 0.00 0.10 0.00 0.00 66.02 66.56 1wfm s SER 58 CO 0.00 -0.77 0.15 0.68 0.98 0.00 0.00 173.24 174.27 1wfm s VAL 59 N -3.37 0.47 -0.27 5.02 -7.23 0.28 -4.98 120.40 110.32 1wfm s VAL 59 Ca 0.04 -2.00 -0.25 0.00 -1.81 0.00 0.00 61.98 57.96 1wfm s VAL 59 Cb -0.01 -2.50 0.08 0.00 0.56 0.00 0.00 36.38 34.51 1wfm s VAL 59 CO -0.09 0.00 0.80 -1.61 -0.31 0.00 0.00 175.10 173.88 1wfm s GLU 60 N -3.79 0.76 0.23 4.82 2.02 -1.26 -2.20 118.70 119.28 1wfm s GLU 60 Ca 0.33 0.90 -0.09 0.00 0.02 0.00 0.00 54.97 56.13 1wfm s GLU 60 Cb 0.05 0.37 -0.01 0.00 0.10 0.00 0.00 34.13 34.63 1wfm s GLU 60 CO 0.17 -0.09 0.37 0.00 0.02 0.00 0.00 175.26 175.73 1wfm s ALA 61 N 0.36 0.17 0.26 5.21 0.00 0.18 -4.97 121.76 122.97 1wfm s ALA 61 Ca 0.01 -1.11 -0.22 0.00 0.00 0.00 0.00 51.96 50.64 1wfm s ALA 61 Cb -0.05 1.15 0.03 0.00 0.00 0.00 0.00 23.12 24.25 1wfm s ALA 61 CO -0.01 -0.77 0.73 1.14 0.00 0.00 0.00 175.76 176.86 1wfm s GLN 62 N -4.06 1.70 0.56 0.00 1.03 -1.26 0.58 119.66 118.21 1wfm s GLN 62 Ca 0.27 -0.92 0.09 0.00 0.04 0.00 0.00 55.36 54.84 1wfm s GLN 62 Cb 0.02 0.59 0.09 0.00 0.03 0.00 0.00 33.01 33.74 1wfm s GLN 62 CO 0.09 -0.78 0.77 0.25 -2.54 0.00 0.00 175.29 173.09 1wfm n THR 63 N -0.45 0.00 -2.62 3.63 -2.24 -0.92 -4.87 114.28 106.81 1wfm n THR 63 Ca -0.05 -1.88 -0.42 0.00 -2.27 0.00 0.00 64.05 59.44 1wfm n THR 63 Cb 0.60 -0.52 -0.03 0.00 -2.10 0.00 0.00 70.33 68.27 1wfm n THR 63 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wfm s ALA 64 N -2.68 3.27 0.43 6.98 0.00 -1.26 -4.79 121.76 123.71 1wfm s ALA 64 Ca 0.59 0.66 -0.22 0.00 0.00 0.00 0.00 51.96 52.99 1wfm s ALA 64 Cb -0.05 -3.35 -0.13 0.00 0.00 0.00 0.00 23.12 19.59 1wfm s ALA 64 CO 0.37 -0.22 0.47 1.28 0.00 0.00 0.00 175.76 177.65 1wfm n LEU 65 N 3.38 -0.47 -3.89 0.00 7.99 -1.26 -4.92 117.00 117.84 1wfm n LEU 65 Ca 0.05 0.88 -0.11 0.00 -0.01 0.00 0.00 56.01 56.82 1wfm n LEU 65 Cb 0.49 -1.08 -0.11 0.00 -0.11 0.00 0.00 43.42 42.61 1wfm n LEU 65 CO 0.53 -3.12 -0.23 -0.54 -1.51 0.00 0.00 177.39 172.52 1wfm s LYS 66 N -1.51 0.36 0.31 3.23 1.02 -1.06 -5.00 119.74 117.08 1wfm s LYS 66 Ca 0.63 -0.30 -0.30 0.00 0.02 0.00 0.00 55.97 56.02 1wfm s LYS 66 Cb -0.60 0.15 -0.12 0.00 -0.52 0.00 0.00 37.83 36.74 1wfm s LYS 66 CO 0.59 -0.08 1.52 0.36 -0.92 0.00 0.00 175.35 176.82 1wfm n LYS 67 N 1.89 2.56 -1.69 1.68 0.00 -1.26 -2.29 118.16 119.05 1wfm n LYS 67 Ca -0.20 0.91 -0.44 0.00 -0.00 0.00 0.00 58.31 58.57 1wfm n LYS 67 Cb 0.56 -2.65 -0.04 0.00 -0.00 0.00 0.00 35.03 32.91 1wfm n LYS 67 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1wfm n ARG 68 N 1.62 2.55 -3.92 -1.58 0.63 -1.20 -4.84 116.66 109.93 1wfm n ARG 68 Ca 0.07 0.93 -0.10 0.00 -0.92 0.00 0.00 57.85 57.83 1wfm n ARG 68 Cb 0.36 -2.78 -0.10 0.00 0.45 0.00 0.00 32.46 30.40 1wfm n ARG 68 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 1wfm s GLN 69 N 2.28 0.49 0.60 -0.14 -1.52 -1.26 -5.01 119.66 115.09 1wfm s GLN 69 Ca 0.82 -0.59 0.29 0.00 -1.95 0.00 0.00 55.36 53.93 1wfm s GLN 69 Cb -0.56 0.19 1.61 0.00 -0.22 0.00 0.00 33.01 34.03 1wfm s GLN 69 CO 0.39 -0.11 2.02 -0.07 -0.25 0.00 0.00 175.29 177.26 1wfm h LEU 70 N 4.10 0.00 -5.54 2.90 -0.00 -1.93 -3.21 115.31 111.65 1wfm h LEU 70 Ca -0.32 0.00 -0.34 0.00 -0.00 0.00 0.00 57.88 57.22 1wfm h LEU 70 Cb 1.19 0.00 -0.25 0.00 -0.00 0.00 0.00 40.66 41.60 1wfm h LEU 70 CO 0.45 0.00 -0.71 1.57 -0.00 0.00 0.00 178.44 179.74 1wfm n HIS 71 N -3.68 -2.48 -2.40 1.13 -0.00 -1.26 -3.55 115.22 102.99 1wfm n HIS 71 Ca 0.03 -2.27 -0.35 0.00 0.46 0.00 0.00 57.72 55.59 1wfm n HIS 71 Cb 0.44 0.91 -0.02 0.00 -0.12 0.00 0.00 29.99 31.21 1wfm n HIS 71 CO 0.00 0.00 0.00 0.99 0.46 0.00 0.00 176.34 177.79 1wfm s THR 72 N 0.36 3.46 0.05 3.57 2.01 -1.17 -4.90 115.64 119.02 1wfm s THR 72 Ca 0.32 0.94 0.02 0.00 0.31 0.00 0.00 61.69 63.29 1wfm s THR 72 Cb 0.07 -3.40 -0.03 0.00 0.01 0.00 0.00 72.50 69.15 1wfm s THR 72 CO -0.13 -0.16 -0.08 0.42 -0.69 0.00 0.00 174.62 173.97 1wfm s THR 73 N -1.82 0.61 0.01 -0.82 -4.23 -1.26 -2.56 115.64 105.56 1wfm s THR 73 Ca 0.68 -1.15 0.07 0.00 -1.18 0.00 0.00 61.69 60.11 1wfm s THR 73 Cb -0.21 -0.72 -0.02 0.00 1.34 0.00 0.00 72.50 72.89 1wfm s THR 73 CO 0.25 -0.39 -0.22 0.26 -0.54 0.00 0.00 174.62 173.97 1wfm s TRP 74 N -1.50 1.95 -0.20 3.99 0.51 -0.84 -5.02 118.94 117.84 1wfm s TRP 74 Ca -0.08 -0.37 0.18 0.00 -2.12 0.00 0.00 56.10 53.70 1wfm s TRP 74 Cb -0.09 -1.22 0.03 0.00 -0.81 0.00 0.00 33.47 31.38 1wfm s TRP 74 CO 0.00 0.02 1.23 0.93 -0.51 0.00 0.00 176.95 178.62 1wfm h GLU 75 N 5.29 0.00 0.00 4.98 5.08 -1.99 -3.39 114.58 124.56 1wfm h GLU 75 Ca -0.41 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.95 1wfm h GLU 75 Cb 1.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1wfm h GLU 75 CO 0.46 0.30 0.00 -0.85 -1.00 0.00 0.00 179.01 177.92 1wfm n GLU 76 N -3.03 1.31 -3.80 2.33 0.28 -1.26 -4.93 120.64 111.53 1wfm n GLU 76 Ca -0.01 0.00 -0.14 0.00 -0.16 0.00 0.00 57.16 56.85 1wfm n GLU 76 Cb 0.71 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.55 1wfm n GLU 76 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1wfm n GLY 77 N 5.00 2.32 3.85 -1.84 0.00 -1.26 -4.25 105.19 109.00 1wfm n GLY 77 Ca 0.00 -1.63 -0.22 0.00 0.00 0.00 0.00 46.02 44.17 1wfm n GLY 77 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wfm s LEU 78 N 0.00 3.90 -0.17 0.99 1.43 -0.72 -4.87 118.68 119.24 1wfm s LEU 78 Ca 0.28 -0.20 -0.09 0.00 -1.03 0.00 0.00 54.13 53.08 1wfm s LEU 78 Cb -0.01 -2.43 0.06 0.00 0.03 0.00 0.00 46.19 43.84 1wfm s LEU 78 CO 0.20 -0.05 0.41 0.54 0.23 0.00 0.00 176.35 177.67 1wfm s VAL 79 N -2.11 -0.02 0.02 -1.59 0.11 -1.25 0.17 120.40 115.72 1wfm s VAL 79 Ca 0.33 0.09 0.06 0.00 -2.93 0.00 0.00 61.98 59.53 1wfm s VAL 79 Cb -0.08 -0.61 -0.02 0.00 -1.53 0.00 0.00 36.38 34.14 1wfm s VAL 79 CO 0.26 0.04 -0.18 -0.76 -3.33 0.00 0.00 175.10 171.12 1wfm s LEU 80 N 1.35 2.11 -0.04 2.54 2.01 0.51 -4.79 118.68 122.36 1wfm s LEU 80 Ca -0.09 -0.42 -0.30 0.00 0.01 0.00 0.00 54.13 53.33 1wfm s LEU 80 Cb -0.08 -0.88 -0.04 0.00 0.01 0.00 0.00 46.19 45.20 1wfm s LEU 80 CO -0.12 0.17 1.22 -2.16 1.01 0.00 0.00 176.35 176.46 1wfm s PRO 81 N -0.82 4.35 -0.18 1.29 0.04 -1.26 0.20 135.00 138.63 1wfm s PRO 81 Ca 0.06 1.70 -0.19 0.00 0.04 0.00 0.00 61.00 62.61 1wfm s PRO 81 Cb -0.08 -3.54 0.05 0.00 0.04 0.00 0.00 34.50 30.97 1wfm s PRO 81 CO 0.01 -0.44 0.53 -1.17 0.04 0.00 0.00 177.00 175.97 1wfm s LEU 82 N 2.13 -0.03 0.05 -3.56 2.96 -0.44 -4.85 118.68 114.94 1wfm s LEU 82 Ca 0.57 0.99 -0.16 0.00 -0.22 0.00 0.00 54.13 55.31 1wfm s LEU 82 Cb -0.26 1.85 -0.06 0.00 0.50 0.00 0.00 46.19 48.22 1wfm s LEU 82 CO 0.23 -0.23 0.47 0.00 -1.32 0.00 0.00 176.35 175.50 1wfm s ALA 83 N 0.07 3.65 0.66 5.97 0.00 -1.26 -3.82 121.76 127.02 1wfm s ALA 83 Ca -0.02 -0.15 0.31 0.00 0.00 0.00 0.00 51.96 52.11 1wfm s ALA 83 Cb -0.04 -2.47 1.71 0.00 0.00 0.00 0.00 23.12 22.32 1wfm s ALA 83 CO 0.02 0.46 1.96 1.49 0.00 0.00 0.00 175.76 179.69 1wfm h GLU 84 N 4.40 0.00 0.00 0.00 4.81 -1.94 1.52 114.58 123.37 1wfm h GLU 84 Ca -0.50 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1wfm h GLU 84 Cb 1.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.59 1wfm h GLU 84 CO 0.63 0.00 -0.39 1.05 -0.73 0.00 0.00 179.01 179.57 1wfm h GLU 85 N 0.00 0.00 -0.18 1.92 4.11 -2.02 -3.21 114.58 115.21 1wfm h GLU 85 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1wfm h GLU 85 Cb 0.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1wfm h GLU 85 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 179.01 179.47 1wfm n GLU 86 N -2.21 1.72 0.04 1.06 1.02 0.51 -4.53 120.64 118.25 1wfm n GLU 86 Ca 0.04 -1.71 -0.11 0.00 -0.02 0.00 0.00 57.16 55.36 1wfm n GLU 86 Cb 0.44 -1.32 -0.04 0.00 -0.02 0.00 0.00 31.44 30.49 1wfm n GLU 86 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1wfm h LEU 87 N 2.98 -0.45 -0.42 -4.62 3.38 -1.22 0.39 115.31 115.35 1wfm h LEU 87 Ca 0.00 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1wfm h LEU 87 Cb 0.71 0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.65 1wfm h LEU 87 CO 0.00 -0.21 0.00 1.55 0.09 0.00 0.00 178.44 179.87 1wfm h PRO 88 N -0.24 0.00 -0.60 1.13 0.13 -1.81 -2.98 132.00 127.63 1wfm h PRO 88 Ca 0.06 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.80 1wfm h PRO 88 Cb 0.32 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 31.20 1wfm h PRO 88 CO -0.17 0.00 -0.16 0.25 -0.23 0.00 0.00 178.00 177.69 1wfm n THR 89 N -2.39 2.75 -3.80 1.56 -2.24 -0.30 -4.92 114.28 104.93 1wfm n THR 89 Ca 0.04 -3.28 -0.11 0.00 -2.27 0.00 0.00 64.05 58.42 1wfm n THR 89 Cb 0.34 -0.74 -0.08 0.00 -2.10 0.00 0.00 70.33 67.75 1wfm n THR 89 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wfm s ALA 90 N -3.48 -0.52 -0.03 6.98 0.00 0.12 -3.85 121.76 120.98 1wfm s ALA 90 Ca 0.50 -0.13 -0.02 0.00 0.00 0.00 0.00 51.96 52.31 1wfm s ALA 90 Cb 0.43 0.30 0.01 0.00 0.00 0.00 0.00 23.12 23.86 1wfm s ALA 90 CO 0.01 -0.39 0.08 0.99 0.00 0.00 0.00 175.76 176.45 1wfm s THR 91 N -2.55 -0.01 -0.26 0.00 2.01 -1.15 -4.32 115.64 109.36 1wfm s THR 91 Ca -0.05 0.05 -0.08 0.00 0.31 0.00 0.00 61.69 61.91 1wfm s THR 91 Cb -0.01 -0.13 -0.03 0.00 0.01 0.00 0.00 72.50 72.34 1wfm s THR 91 CO -0.04 0.02 0.11 -0.22 -0.69 0.00 0.00 174.62 173.80 1wfm s LEU 92 N 0.30 3.62 -0.21 4.42 1.98 -1.16 -2.12 118.68 125.51 1wfm s LEU 92 Ca -0.02 -0.16 -0.03 0.00 -2.89 0.00 0.00 54.13 51.03 1wfm s LEU 92 Cb -0.03 -1.98 -0.00 0.00 0.66 0.00 0.00 46.19 44.84 1wfm s LEU 92 CO -0.01 -0.04 -0.08 -0.89 -1.89 0.00 0.00 176.35 173.43 1wfm s THR 93 N 1.66 3.06 0.40 3.68 2.01 0.41 -0.00 115.64 126.85 1wfm s THR 93 Ca 0.07 -0.60 -0.16 0.00 0.31 0.00 0.00 61.69 61.30 1wfm s THR 93 Cb -0.15 -2.37 -0.09 0.00 0.01 0.00 0.00 72.50 69.90 1wfm s THR 93 CO 0.06 0.45 0.84 -0.76 -0.69 0.00 0.00 174.62 174.52 1wfm s LEU 94 N 1.39 3.92 -0.14 4.42 1.02 0.43 -0.42 118.68 129.31 1wfm s LEU 94 Ca 0.05 1.42 -0.08 0.00 0.02 0.00 0.00 54.13 55.54 1wfm s LEU 94 Cb -0.14 -4.27 0.05 0.00 0.02 0.00 0.00 46.19 41.84 1wfm s LEU 94 CO -0.05 -0.34 0.33 0.42 0.02 0.00 0.00 176.35 176.73 1wfm s THR 95 N -2.20 -0.03 -0.53 5.49 -4.23 0.22 -0.39 115.64 113.97 1wfm s THR 95 Ca 0.57 0.09 -0.09 0.00 -1.18 0.00 0.00 61.69 61.09 1wfm s THR 95 Cb -0.10 -0.49 0.14 0.00 1.34 0.00 0.00 72.50 73.39 1wfm s THR 95 CO 0.20 0.04 0.40 -0.22 -0.54 0.00 0.00 174.62 174.50 1wfm s LEU 96 N 1.08 5.73 0.44 4.79 2.96 0.23 0.17 118.68 134.08 1wfm s LEU 96 Ca -0.07 -2.15 -0.01 0.00 -0.22 0.00 0.00 54.13 51.68 1wfm s LEU 96 Cb -0.08 -2.00 -0.01 0.00 0.50 0.00 0.00 46.19 44.59 1wfm s LEU 96 CO -0.08 -0.63 0.68 -0.13 -1.32 0.00 0.00 176.35 174.87 1wfm s ARG 97 N 1.01 3.23 -0.07 1.98 0.52 -0.72 0.21 118.95 125.10 1wfm s ARG 97 Ca 0.09 -0.30 0.04 0.00 -0.52 0.00 0.00 55.73 55.04 1wfm s ARG 97 Cb -0.23 -2.53 -0.00 0.00 0.52 0.00 0.00 34.95 32.70 1wfm s ARG 97 CO -0.02 -0.20 -0.21 0.95 0.02 0.00 0.00 175.30 175.84 1wfm s THR 98 N -2.56 1.79 0.35 0.02 -4.23 -1.26 -2.24 115.64 107.51 1wfm s THR 98 Ca 0.47 -0.89 -0.26 0.00 -1.18 0.00 0.00 61.69 59.83 1wfm s THR 98 Cb -0.10 -1.55 -0.09 0.00 1.34 0.00 0.00 72.50 72.10 1wfm s THR 98 CO 0.39 0.50 1.02 0.00 -0.54 0.00 0.00 174.62 175.99 1wfm s ASP 100 N -1.44 -0.03 0.10 0.00 2.15 -1.26 -4.08 116.67 112.10 1wfm s ASP 100 Ca 0.52 -0.01 -0.19 0.00 0.43 0.00 0.00 52.55 53.30 1wfm s ASP 100 Cb -0.23 0.04 -0.05 0.00 -0.30 0.00 0.00 42.92 42.38 1wfm s ASP 100 CO 0.29 -0.06 1.33 -0.09 -0.17 0.00 0.00 175.17 176.47 1wfm h ARG 101 N 2.00 -0.02 0.00 4.34 9.65 -1.99 -3.34 114.38 125.02 1wfm h ARG 101 Ca -0.10 0.00 -0.25 0.00 -1.10 0.00 0.00 59.98 58.53 1wfm h ARG 101 Cb 1.15 0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 29.69 1wfm h ARG 101 CO 0.22 -0.02 -1.89 1.19 2.80 0.00 0.00 179.97 182.27 1wfm n PHE 102 N -4.38 0.00 -2.45 2.20 3.72 -1.26 -5.05 117.46 110.24 1wfm n PHE 102 Ca 0.01 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.37 1wfm n PHE 102 Cb 0.17 -0.59 0.02 0.00 -0.94 0.00 0.00 39.48 38.13 1wfm n PHE 102 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1wfm n SER 103 N -3.38 -2.35 -4.57 4.37 2.88 -1.25 -4.88 113.62 104.44 1wfm n SER 103 Ca -0.30 -0.10 -0.15 0.00 -1.33 0.00 0.00 58.87 56.98 1wfm n SER 103 Cb 0.76 -1.31 -0.09 0.00 -0.75 0.00 0.00 64.21 62.81 1wfm n SER 103 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1wfm s ARG 104 N -4.68 1.47 0.00 -1.46 3.00 -1.26 -4.65 118.95 111.38 1wfm s ARG 104 Ca 0.05 -0.09 0.00 0.00 0.00 0.00 0.00 55.73 55.69 1wfm s ARG 104 Cb -0.02 -4.92 0.00 0.00 0.00 0.00 0.00 34.95 30.01 1wfm s ARG 104 CO 0.13 -4.91 0.00 1.58 0.00 0.00 0.00 175.30 172.10 1wfm n HIS 105 N 18.78 0.00 -2.44 -0.53 -0.00 -1.26 -5.18 115.22 124.59 1wfm n HIS 105 Ca 0.44 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.62 1wfm n HIS 105 Cb 0.45 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.32 1wfm n HIS 105 CO 0.00 0.00 0.00 -1.13 0.46 0.00 0.00 176.34 175.67 1wfm n SER 106 N 0.74 0.98 -4.76 0.26 3.41 -1.26 -5.09 113.62 107.91 1wfm n SER 106 Ca 0.00 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.23 1wfm n SER 106 Cb 0.00 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 63.98 1wfm n SER 106 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1wfm s VAL 107 N 1.56 2.37 -1.67 -3.33 1.01 -1.26 -4.78 120.40 114.30 1wfm s VAL 107 Ca 0.00 0.28 0.29 0.00 0.00 0.00 0.00 61.98 62.55 1wfm s VAL 107 Cb 0.00 -3.14 0.50 0.00 0.00 0.00 0.00 36.38 33.74 1wfm s VAL 107 CO 0.00 -0.00 1.91 0.00 0.00 0.00 0.00 175.10 177.01 1wfm n ALA 108 N -0.84 2.71 0.00 5.51 0.00 0.56 -4.77 120.51 123.67 1wfm n ALA 108 Ca 0.09 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1wfm n ALA 108 Cb 0.46 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.54 1wfm n ALA 108 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wfm n GLY 109 N 1.25 2.04 3.58 0.00 0.00 -1.22 -4.78 105.19 106.06 1wfm n GLY 109 Ca 0.15 0.29 -0.32 0.00 0.00 0.00 0.00 46.02 46.14 1wfm n GLY 109 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wfm s GLU 110 N 0.00 2.53 -0.02 1.61 8.01 -1.25 -0.60 118.70 128.99 1wfm s GLU 110 Ca 0.00 -0.72 0.01 0.00 0.01 0.00 0.00 54.97 54.27 1wfm s GLU 110 Cb 0.00 -2.48 0.01 0.00 -4.31 0.00 0.00 34.13 27.34 1wfm s GLU 110 CO 0.00 0.60 -0.05 -1.17 0.01 0.00 0.00 175.26 174.66 1wfm s LEU 111 N -1.33 1.74 -0.17 1.80 0.20 0.47 0.20 118.68 121.59 1wfm s LEU 111 Ca 0.16 -0.10 -0.07 0.00 0.69 0.00 0.00 54.13 54.82 1wfm s LEU 111 Cb -0.11 -0.32 -0.04 0.00 -0.43 0.00 0.00 46.19 45.30 1wfm s LEU 111 CO 0.06 0.02 0.04 -0.60 -0.29 0.00 0.00 176.35 175.58 1wfm s ARG 112 N 0.27 3.89 0.34 1.98 3.52 -1.26 0.16 118.95 127.85 1wfm s ARG 112 Ca -0.03 -0.37 0.03 0.00 -0.13 0.00 0.00 55.73 55.23 1wfm s ARG 112 Cb -0.07 -3.14 -0.05 0.00 -1.56 0.00 0.00 34.95 30.13 1wfm s ARG 112 CO -0.00 0.29 0.09 -0.51 -0.81 0.00 0.00 175.30 174.35 1wfm s LEU 113 N 0.31 2.02 0.06 -0.88 1.43 1.00 -4.98 118.68 117.64 1wfm s LEU 113 Ca 0.02 -1.48 0.06 0.00 -1.03 0.00 0.00 54.13 51.70 1wfm s LEU 113 Cb -0.13 -0.22 -0.03 0.00 0.03 0.00 0.00 46.19 45.84 1wfm s LEU 113 CO 0.01 -0.74 -0.16 -0.83 0.23 0.00 0.00 176.35 174.86 1wfm s GLY 114 N -3.50 0.95 -0.21 -3.19 0.00 -1.26 -3.01 107.32 97.10 1wfm s GLY 114 Ca 0.32 -1.00 0.07 0.00 0.00 0.00 0.00 44.72 44.11 1wfm s GLY 114 CO 0.15 -1.00 -0.10 1.04 0.00 0.00 0.00 173.10 173.19 1wfm n LEU 115 N 1.49 1.81 -0.46 0.66 7.99 -1.26 -4.33 117.00 122.90 1wfm n LEU 115 Ca -0.19 -0.07 0.40 0.00 -0.01 0.00 0.00 56.01 56.13 1wfm n LEU 115 Cb 0.54 -0.31 0.73 0.00 -0.11 0.00 0.00 43.42 44.27 1wfm n LEU 115 CO 0.22 0.71 1.35 -2.24 -1.51 0.00 0.00 177.39 175.92 1wfm h ASP 116 N 0.00 0.10 0.00 -1.43 2.03 -1.81 -3.44 116.42 111.87 1wfm h ASP 116 Ca -0.50 0.04 0.00 0.00 -0.73 0.00 0.00 57.03 55.84 1wfm h ASP 116 Cb 1.90 0.03 0.00 0.00 -0.83 0.00 0.00 39.33 40.43 1wfm h ASP 116 CO -0.04 -0.03 0.00 0.61 -1.03 0.00 0.00 179.24 178.76 1wfm n GLY 117 N -1.74 1.43 0.00 7.15 0.00 -1.26 -4.93 105.19 105.84 1wfm n GLY 117 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.36 1wfm n GLY 117 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1wfm n THR 118 N -1.20 0.00 -0.38 2.61 -1.04 -1.26 -4.52 114.28 108.49 1wfm n THR 118 Ca 0.00 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 61.93 1wfm n THR 118 Cb 0.00 -0.61 -0.06 0.00 -1.82 0.00 0.00 70.33 67.83 1wfm n THR 118 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1wfm n SER 119 N -0.74 -0.89 -3.96 8.00 7.64 -1.26 -4.43 113.62 117.97 1wfm n SER 119 Ca 0.00 1.62 -0.16 0.00 1.01 0.00 0.00 58.87 61.33 1wfm n SER 119 Cb 0.00 -0.24 -0.15 0.00 -1.01 0.00 0.00 64.21 62.81 1wfm n SER 119 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1wfm s VAL 120 N -5.54 0.46 0.94 0.44 -7.23 -1.26 -4.93 120.40 103.27 1wfm s VAL 120 Ca -0.11 -0.24 -0.13 0.00 -1.81 0.00 0.00 61.98 59.69 1wfm s VAL 120 Cb 0.12 -0.39 0.15 0.00 0.56 0.00 0.00 36.38 36.82 1wfm s VAL 120 CO 0.58 0.13 1.15 -2.16 -0.31 0.00 0.00 175.10 174.50 1wfm s PRO 121 N -0.06 0.94 0.19 4.82 0.04 -1.26 -4.25 135.00 135.41 1wfm s PRO 121 Ca 0.01 0.22 0.02 0.00 0.04 0.00 0.00 61.00 61.29 1wfm s PRO 121 Cb -0.03 -1.82 -0.04 0.00 0.04 0.00 0.00 34.50 32.65 1wfm s PRO 121 CO -0.00 -2.32 0.34 -0.51 0.04 0.00 0.00 177.00 174.55 1wfm s LEU 122 N -6.09 4.28 -1.52 -3.56 1.43 -1.26 -4.24 118.68 107.72 1wfm s LEU 122 Ca 0.65 0.25 0.00 0.00 -1.03 0.00 0.00 54.13 54.00 1wfm s LEU 122 Cb -0.14 -3.01 0.00 0.00 0.03 0.00 0.00 46.19 43.07 1wfm s LEU 122 CO 0.53 -0.02 0.00 0.61 0.23 0.00 0.00 176.35 177.71 1wfm n GLY 123 N -0.77 0.62 2.88 -3.19 0.00 0.51 -4.91 105.19 100.32 1wfm n GLY 123 Ca -0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 1wfm n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wfm s ALA 124 N -2.52 2.15 -0.03 4.61 0.00 -1.25 -5.03 121.76 119.68 1wfm s ALA 124 Ca 0.00 -2.00 -0.30 0.00 0.00 0.00 0.00 51.96 49.66 1wfm s ALA 124 Cb 0.00 -1.75 -0.06 0.00 0.00 0.00 0.00 23.12 21.31 1wfm s ALA 124 CO 0.00 -1.62 1.68 0.00 0.00 0.00 0.00 175.76 175.81 1wfm s ALA 125 N 1.29 3.62 0.00 0.00 0.00 -1.26 -4.53 121.76 120.88 1wfm s ALA 125 Ca 0.09 1.00 0.00 0.00 0.00 0.00 0.00 51.96 53.04 1wfm s ALA 125 Cb -0.18 -3.75 -0.00 0.00 0.00 0.00 0.00 23.12 19.19 1wfm s ALA 125 CO -0.16 -1.38 -0.01 1.14 0.00 0.00 0.00 175.76 175.36 1wfm s GLN 126 N 3.92 0.06 -0.01 0.00 0.00 -1.13 -5.05 119.66 117.45 1wfm s GLN 126 Ca 0.75 -0.06 -0.24 0.00 -0.00 0.00 0.00 55.36 55.80 1wfm s GLN 126 Cb -0.35 -0.02 -0.04 0.00 0.00 0.00 0.00 33.01 32.59 1wfm s GLN 126 CO 0.31 0.01 0.74 -1.58 0.00 0.00 0.00 175.29 174.77 1wfm s TRP 127 N -0.12 3.66 -0.03 9.60 0.52 -1.26 -3.15 118.94 128.15 1wfm s TRP 127 Ca -0.01 1.38 0.03 0.00 0.02 0.00 0.00 56.10 57.51 1wfm s TRP 127 Cb -0.01 -2.82 0.00 0.00 -1.15 0.00 0.00 33.47 29.49 1wfm s TRP 127 CO -0.00 0.17 -0.10 0.20 0.02 0.00 0.00 176.95 177.25 1wfm s GLY 128 N 0.40 0.59 0.36 0.98 0.00 0.18 -4.99 107.32 104.83 1wfm s GLY 128 Ca 0.39 -0.36 -0.26 0.00 0.00 0.00 0.00 44.72 44.49 1wfm s GLY 128 CO 0.21 -0.06 1.12 -0.54 0.00 0.00 0.00 173.10 173.83 1wfm s GLU 129 N 0.26 4.26 -0.08 2.90 8.01 -1.26 -0.62 118.70 132.17 1wfm s GLU 129 Ca -0.05 1.75 -0.27 0.00 0.01 0.00 0.00 54.97 56.41 1wfm s GLU 129 Cb -0.10 -2.80 -0.02 0.00 -4.31 0.00 0.00 34.13 26.90 1wfm s GLU 129 CO 0.01 -0.11 0.87 -0.51 0.01 0.00 0.00 175.26 175.53 1wfm s LEU 130 N -2.21 4.28 -1.20 1.80 1.43 0.15 -4.81 118.68 118.12 1wfm s LEU 130 Ca 0.53 1.39 -0.06 0.00 -1.03 0.00 0.00 54.13 54.95 1wfm s LEU 130 Cb -0.29 -3.35 0.22 0.00 0.03 0.00 0.00 46.19 42.80 1wfm s LEU 130 CO 0.37 -0.29 1.82 0.29 0.23 0.00 0.00 176.35 178.77 1wfm n LYS 131 N 4.39 4.18 -1.34 1.70 5.02 0.53 -4.35 118.16 128.29 1wfm n LYS 131 Ca 0.04 -3.93 -0.36 0.00 -2.02 0.00 0.00 58.31 52.03 1wfm n LYS 131 Cb 0.50 -2.72 -0.14 0.00 -0.02 0.00 0.00 35.03 32.66 1wfm n LYS 131 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1wfm n THR 132 N 2.19 0.00 -3.49 -0.18 -2.24 -1.26 -3.84 114.28 105.46 1wfm n THR 132 Ca 0.39 -0.01 -0.22 0.00 -2.27 0.00 0.00 64.05 61.94 1wfm n THR 132 Cb 0.33 -0.44 0.00 0.00 -2.10 0.00 0.00 70.33 68.12 1wfm n THR 132 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1wfm s SER 133 N 7.85 4.99 0.00 3.42 0.01 -1.26 -4.91 113.70 123.80 1wfm s SER 133 Ca 1.21 -0.89 0.00 0.00 1.31 0.00 0.00 55.95 57.58 1wfm s SER 133 Cb -1.12 -0.08 0.00 0.00 0.21 0.00 0.00 66.02 65.03 1wfm s SER 133 CO 0.44 -0.96 0.00 0.61 0.41 0.00 0.00 173.24 173.74 1wfm n GLY 134 N -1.80 -1.01 3.70 3.44 0.00 -1.26 -4.69 105.19 103.56 1wfm n GLY 134 Ca 0.05 -1.43 -0.42 0.00 0.00 0.00 0.00 46.02 44.22 1wfm n GLY 134 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wfm s PRO 135 N 0.00 4.38 -0.42 1.61 0.04 -1.26 -4.66 135.00 134.70 1wfm s PRO 135 Ca 0.00 1.71 0.02 0.00 0.04 0.00 0.00 61.00 62.77 1wfm s PRO 135 Cb 0.00 -3.48 0.26 0.00 0.04 0.00 0.00 34.50 31.31 1wfm s PRO 135 CO 0.00 -0.37 1.05 -1.13 0.04 0.00 0.00 177.00 176.59 1wfm n SER 136 N 4.73 -2.17 0.04 6.66 3.41 -1.26 -5.02 113.62 120.02 1wfm n SER 136 Ca 0.10 -2.61 0.00 0.00 -0.26 0.00 0.00 58.87 56.10 1wfm n SER 136 Cb 0.46 1.33 0.00 0.00 -0.26 0.00 0.00 64.21 65.74 1wfm n SER 136 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1wfm n SER 137 N 1.58 0.37 0.00 4.04 2.88 -1.26 -5.10 113.62 116.13 1wfm n SER 137 Ca 0.05 0.13 0.05 0.00 -1.33 0.00 0.00 58.87 57.77 1wfm n SER 137 Cb 0.67 -0.05 0.29 0.00 -0.75 0.00 0.00 64.21 64.36 1wfm n SER 137 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42