#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 -0.66 -4.12 1.61 7.64 -1.26 -5.15 113.62 111.68 1wfm n SER 2 Ca 0.00 0.50 -0.36 0.00 1.01 0.00 0.00 58.87 60.01 1wfm n SER 2 Cb 0.00 0.98 0.04 0.00 -1.01 0.00 0.00 64.21 64.22 1wfm n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wfm n SER 3 N -2.94 -4.83 -3.68 6.43 2.88 -1.26 -4.98 113.62 105.23 1wfm n SER 3 Ca 0.00 0.32 0.01 0.00 -1.33 0.00 0.00 58.87 57.87 1wfm n SER 3 Cb 0.00 -0.86 0.01 0.00 -0.75 0.00 0.00 64.21 62.61 1wfm n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wfm s GLY 4 N -1.14 -0.11 0.21 0.46 0.00 -1.26 -5.19 107.32 100.29 1wfm s GLY 4 Ca 0.47 0.03 -0.04 0.00 0.00 0.00 0.00 44.72 45.18 1wfm s GLY 4 CO 0.76 3.96 0.21 -1.35 0.00 0.00 0.00 173.10 176.68 1wfm s SER 5 N -3.58 0.10 0.24 1.64 1.04 -1.26 -5.09 113.70 106.79 1wfm s SER 5 Ca 0.25 -1.26 0.00 0.00 0.48 0.00 0.00 55.95 55.42 1wfm s SER 5 Cb -0.00 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.54 1wfm s SER 5 CO 0.00 -0.90 0.00 -1.20 0.98 0.00 0.00 173.24 172.12 1wfm n SER 6 N -0.28 0.07 0.00 7.02 7.64 -1.26 -5.06 113.62 121.74 1wfm n SER 6 Ca 0.00 0.40 0.00 0.00 1.01 0.00 0.00 58.87 60.28 1wfm n SER 6 Cb 0.65 0.25 0.00 0.00 -1.01 0.00 0.00 64.21 64.10 1wfm n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wfm n GLY 7 N 1.90 2.05 5.00 0.23 0.00 -1.26 -4.86 105.19 108.25 1wfm n GLY 7 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1wfm n GLY 7 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wfm n SER 8 N 3.96 0.00 -4.67 1.61 2.88 -1.26 -4.90 113.62 111.25 1wfm n SER 8 Ca 0.00 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.23 1wfm n SER 8 Cb 0.00 0.00 0.17 0.00 -0.75 0.00 0.00 64.21 63.63 1wfm n SER 8 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 1wfm n TRP 9 N 0.00 0.87 -3.80 0.66 2.14 -1.26 -4.97 117.44 111.08 1wfm n TRP 9 Ca 0.00 0.40 -0.35 0.00 2.07 0.00 0.00 57.50 59.62 1wfm n TRP 9 Cb 0.00 -2.01 -0.11 0.00 -0.81 0.00 0.00 31.31 28.38 1wfm n TRP 9 CO 0.00 0.00 0.00 -0.80 2.07 0.00 0.00 177.69 178.96 1wfm s ASN 10 N -2.60 5.01 -0.26 -0.67 0.01 -1.26 -5.02 114.94 110.14 1wfm s ASN 10 Ca 0.67 -2.73 -0.29 0.00 -0.71 0.00 0.00 52.86 49.80 1wfm s ASN 10 Cb -0.23 -1.79 0.18 0.00 0.41 0.00 0.00 41.25 39.82 1wfm s ASN 10 CO 0.58 -0.36 1.29 0.00 -1.51 0.00 0.00 177.10 177.09 1wfm s GLN 11 N 0.12 0.16 0.02 -0.60 -2.07 -1.26 -5.18 119.66 110.85 1wfm s GLN 11 Ca 0.15 0.04 -0.07 0.00 -1.82 0.00 0.00 55.36 53.67 1wfm s GLN 11 Cb -0.22 0.08 -0.00 0.00 -1.09 0.00 0.00 33.01 31.77 1wfm s GLN 11 CO -0.03 -0.05 0.13 0.00 -1.32 0.00 0.00 175.29 174.02 1wfm s ALA 12 N -1.02 -0.22 0.35 2.60 0.00 -1.26 -5.14 121.76 117.08 1wfm s ALA 12 Ca 0.07 -0.34 -0.26 0.00 0.00 0.00 0.00 51.96 51.43 1wfm s ALA 12 Cb -0.01 0.20 -0.09 0.00 0.00 0.00 0.00 23.12 23.22 1wfm s ALA 12 CO -0.06 -0.28 1.06 -1.25 0.00 0.00 0.00 175.76 175.23 1wfm s PRO 13 N -2.09 4.35 0.06 0.00 0.04 -1.26 -4.87 135.00 131.23 1wfm s PRO 13 Ca -0.09 1.62 0.08 0.00 0.04 0.00 0.00 61.00 62.64 1wfm s PRO 13 Cb -0.04 -2.79 -0.03 0.00 0.04 0.00 0.00 34.50 31.67 1wfm s PRO 13 CO -0.02 0.00 -0.19 0.15 0.04 0.00 0.00 177.00 176.98 1wfm s LYS 14 N -2.08 1.97 -0.06 4.56 1.02 -0.31 -0.08 119.74 124.76 1wfm s LYS 14 Ca 0.53 -1.04 -0.01 0.00 0.02 0.00 0.00 55.97 55.46 1wfm s LYS 14 Cb -0.26 -2.15 0.03 0.00 -0.52 0.00 0.00 37.83 34.93 1wfm s LYS 14 CO 0.33 0.52 0.02 -1.17 -0.92 0.00 0.00 175.35 174.13 1wfm s LEU 15 N -1.57 0.54 -0.11 3.17 2.96 0.06 0.21 118.68 123.94 1wfm s LEU 15 Ca 0.15 -0.03 -0.21 0.00 -0.22 0.00 0.00 54.13 53.82 1wfm s LEU 15 Cb -0.10 -0.32 -0.04 0.00 0.50 0.00 0.00 46.19 46.23 1wfm s LEU 15 CO 0.06 -0.20 0.62 -2.28 -1.32 0.00 0.00 176.35 173.24 1wfm s HIS 16 N 1.89 3.52 -0.19 5.38 5.65 -0.04 -3.10 115.29 128.41 1wfm s HIS 16 Ca 0.03 1.09 -0.24 0.00 0.25 0.00 0.00 55.06 56.18 1wfm s HIS 16 Cb -0.12 -2.73 0.06 0.00 -1.18 0.00 0.00 32.58 28.61 1wfm s HIS 16 CO -0.04 0.06 0.64 1.52 -0.65 0.00 0.00 174.74 176.27 1wfm s TYR 17 N 0.96 -0.67 -0.24 3.88 1.13 -0.99 -2.60 117.35 118.82 1wfm s TYR 17 Ca 0.33 1.52 0.02 0.00 -1.41 0.00 0.00 57.07 57.53 1wfm s TYR 17 Cb -0.17 0.27 0.05 0.00 -1.10 0.00 0.00 41.96 41.02 1wfm s TYR 17 CO 0.14 -0.41 -0.13 0.00 -2.51 0.00 0.00 175.55 172.65 1wfm s LEU 19 N 1.16 4.07 -0.19 0.00 2.01 -1.26 -2.23 118.68 122.24 1wfm s LEU 19 Ca -0.06 0.76 -0.04 0.00 0.01 0.00 0.00 54.13 54.80 1wfm s LEU 19 Cb -0.18 -2.89 0.09 0.00 0.01 0.00 0.00 46.19 43.21 1wfm s LEU 19 CO -0.07 -0.37 0.21 -0.62 1.01 0.00 0.00 176.35 176.51 1wfm s ASP 20 N 1.42 1.37 0.03 2.29 2.15 -0.58 0.19 116.67 123.54 1wfm s ASP 20 Ca 0.27 -0.20 -0.17 0.00 0.43 0.00 0.00 52.55 52.88 1wfm s ASP 20 Cb -0.16 0.36 -0.06 0.00 -0.30 0.00 0.00 42.92 42.76 1wfm s ASP 20 CO 0.09 -0.32 0.49 -0.47 -0.17 0.00 0.00 175.17 174.78 1wfm s TYR 21 N 2.32 3.76 -0.64 -5.34 5.04 -1.26 -2.11 117.35 119.12 1wfm s TYR 21 Ca 0.06 1.13 0.03 0.00 -2.44 0.00 0.00 57.07 55.85 1wfm s TYR 21 Cb -0.15 -2.40 0.16 0.00 0.35 0.00 0.00 41.96 39.91 1wfm s TYR 21 CO -0.12 0.60 0.42 0.34 -1.34 0.00 0.00 175.55 175.46 1wfm s ASP 22 N -1.04 4.79 0.50 4.32 -1.08 -1.19 -4.92 116.67 118.05 1wfm s ASP 22 Ca 0.26 -3.37 0.40 0.00 -0.52 0.00 0.00 52.55 49.32 1wfm s ASP 22 Cb -0.18 -1.70 1.59 0.00 -1.46 0.00 0.00 42.92 41.17 1wfm s ASP 22 CO 0.16 -0.19 1.61 0.00 0.52 0.00 0.00 175.17 177.27 1wfm h GLN 24 N 0.03 0.20 0.00 0.00 4.20 -1.97 -2.38 115.11 115.19 1wfm h GLN 24 Ca 0.87 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.56 1wfm h GLN 24 Cb 3.12 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 30.86 1wfm h GLN 24 CO -0.23 0.13 -0.63 1.63 -0.67 0.00 0.00 178.83 179.07 1wfm n LYS 25 N -4.99 0.14 -3.69 1.46 5.02 0.63 -4.94 118.16 111.79 1wfm n LYS 25 Ca -0.04 0.03 -0.28 0.00 -2.02 0.00 0.00 58.31 56.00 1wfm n LYS 25 Cb 0.04 -1.58 0.02 0.00 -0.02 0.00 0.00 35.03 33.49 1wfm n LYS 25 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wfm n ALA 26 N -1.66 -1.18 -3.63 7.82 0.00 0.70 -4.86 120.51 117.69 1wfm n ALA 26 Ca 0.04 0.17 -0.15 0.00 0.00 0.00 0.00 53.44 53.50 1wfm n ALA 26 Cb 0.39 -3.93 -0.16 0.00 0.00 0.00 0.00 19.45 15.74 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 -6.38 0.08 0.38 0.00 2.02 -1.24 0.83 118.70 114.40 1wfm s GLU 27 Ca 0.57 0.12 -0.24 0.00 0.02 0.00 0.00 54.97 55.44 1wfm s GLU 27 Cb -0.29 -0.30 -0.09 0.00 0.10 0.00 0.00 34.13 33.55 1wfm s GLU 27 CO 0.70 -0.13 1.04 -1.17 0.02 0.00 0.00 175.26 175.71 1wfm s LEU 28 N 0.91 4.18 0.00 1.80 1.98 0.80 -3.17 118.68 125.19 1wfm s LEU 28 Ca -0.08 2.02 0.06 0.00 -2.89 0.00 0.00 54.13 53.24 1wfm s LEU 28 Cb -0.12 -4.14 -0.02 0.00 0.66 0.00 0.00 46.19 42.58 1wfm s LEU 28 CO -0.02 -0.42 -0.19 -0.36 -1.89 0.00 0.00 176.35 173.48 1wfm s PHE 29 N -1.64 1.65 -0.49 5.38 0.08 -0.90 -0.43 117.98 121.63 1wfm s PHE 29 Ca 0.56 -0.33 0.06 0.00 0.12 0.00 0.00 56.93 57.35 1wfm s PHE 29 Cb -0.22 -1.03 0.22 0.00 -0.57 0.00 0.00 43.02 41.42 1wfm s PHE 29 CO 0.28 0.00 0.54 0.28 -0.10 0.00 0.00 175.22 176.22 1wfm n VAL 30 N 2.39 0.19 -1.72 -0.44 0.31 -0.64 -1.52 118.33 116.90 1wfm n VAL 30 Ca -0.16 -4.28 -0.11 0.00 -0.01 0.00 0.00 64.34 59.79 1wfm n VAL 30 Cb 0.54 -1.95 0.07 0.00 -0.91 0.00 0.00 33.84 31.58 1wfm n VAL 30 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1wfm n THR 31 N 1.63 0.00 -3.18 2.52 -2.24 -0.95 -2.29 114.28 109.78 1wfm n THR 31 Ca 0.25 -0.47 -0.07 0.00 -2.27 0.00 0.00 64.05 61.49 1wfm n THR 31 Cb 0.47 -1.59 0.00 0.00 -2.10 0.00 0.00 70.33 67.11 1wfm n THR 31 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1wfm n ARG 32 N -1.98 -1.54 -3.50 -0.78 1.74 -1.26 -0.42 116.66 108.91 1wfm n ARG 32 Ca 0.07 1.46 -0.38 0.00 -0.77 0.00 0.00 57.85 58.22 1wfm n ARG 32 Cb 0.23 -5.00 -0.10 0.00 -1.02 0.00 0.00 32.46 26.58 1wfm n ARG 32 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1wfm s LEU 33 N -3.90 4.05 -0.36 0.55 2.01 -1.25 -2.34 118.68 117.44 1wfm s LEU 33 Ca 0.05 0.16 0.05 0.00 0.01 0.00 0.00 54.13 54.40 1wfm s LEU 33 Cb -0.01 -2.27 0.17 0.00 0.01 0.00 0.00 46.19 44.09 1wfm s LEU 33 CO 0.78 -0.09 0.49 -1.61 1.01 0.00 0.00 176.35 176.93 1wfm s GLU 34 N 1.76 0.64 0.48 1.70 2.02 -1.07 -2.31 118.70 121.92 1wfm s GLU 34 Ca 0.11 -0.29 -0.21 0.00 0.02 0.00 0.00 54.97 54.60 1wfm s GLU 34 Cb -0.15 -0.26 -0.07 0.00 0.10 0.00 0.00 34.13 33.74 1wfm s GLU 34 CO 0.09 -1.14 1.10 0.00 0.02 0.00 0.00 175.26 175.34 1wfm s ALA 35 N 1.97 2.87 -0.43 5.21 0.00 -1.11 -0.86 121.76 129.41 1wfm s ALA 35 Ca 0.14 0.78 0.08 0.00 0.00 0.00 0.00 51.96 52.97 1wfm s ALA 35 Cb -0.10 -3.33 0.27 0.00 0.00 0.00 0.00 23.12 19.96 1wfm s ALA 35 CO -0.13 -0.54 0.60 0.28 0.00 0.00 0.00 175.76 175.96 1wfm n VAL 36 N -0.81 -0.01 -4.39 0.00 0.31 0.56 -3.45 118.33 110.54 1wfm n VAL 36 Ca 0.09 -4.34 -0.34 0.00 -0.01 0.00 0.00 64.34 59.74 1wfm n VAL 36 Cb 0.50 -1.74 -0.13 0.00 -0.91 0.00 0.00 33.84 31.57 1wfm n VAL 36 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1wfm s THR 37 N -1.67 3.70 0.13 2.52 -4.23 -1.26 -1.16 115.64 113.67 1wfm s THR 37 Ca 0.37 -0.42 0.03 0.00 -1.18 0.00 0.00 61.69 60.49 1wfm s THR 37 Cb 0.19 -2.62 -0.04 0.00 1.34 0.00 0.00 72.50 71.38 1wfm s THR 37 CO -0.09 0.49 0.20 -0.94 -0.54 0.00 0.00 174.62 173.74 1wfm s SER 38 N 0.53 6.01 0.32 3.99 1.04 -1.26 -4.61 113.70 119.72 1wfm s SER 38 Ca -0.04 0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.47 1wfm s SER 38 Cb -0.15 -1.73 0.00 0.00 0.10 0.00 0.00 66.02 64.24 1wfm s SER 38 CO 0.03 0.09 0.00 -3.20 0.98 0.00 0.00 173.24 171.14 1wfm n ASN 39 N -0.23 -6.53 -1.17 7.02 2.85 -1.26 -4.97 115.26 110.97 1wfm n ASN 39 Ca -0.07 0.62 0.15 0.00 -0.11 0.00 0.00 54.58 55.17 1wfm n ASN 39 Cb 0.53 -3.70 -0.05 0.00 1.24 0.00 0.00 39.78 37.81 1wfm n ASN 39 CO 0.00 0.00 0.00 1.41 -2.11 0.00 0.00 177.26 176.56 1wfm n HIS 40 N -3.55 -2.97 -2.25 1.20 8.25 -1.26 -5.02 115.22 109.62 1wfm n HIS 40 Ca -0.01 1.51 0.00 0.00 -0.26 0.00 0.00 57.72 58.96 1wfm n HIS 40 Cb 0.63 -2.70 0.00 0.00 1.12 0.00 0.00 29.99 29.05 1wfm n HIS 40 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1wfm n ASP 41 N -3.77 -9.49 0.00 0.41 9.92 -1.26 -5.06 116.55 107.31 1wfm n ASP 41 Ca -0.01 1.66 0.00 0.00 -0.53 0.00 0.00 54.79 55.91 1wfm n ASP 41 Cb 0.54 -5.27 0.00 0.00 -0.64 0.00 0.00 41.12 35.75 1wfm n ASP 41 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1wfm n GLY 42 N 1.93 0.59 3.14 0.44 0.00 -1.26 -4.96 105.19 105.06 1wfm n GLY 42 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1wfm n GLY 42 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wfm s GLY 43 N 0.00 3.02 0.03 -0.02 0.00 -1.26 -4.91 107.32 104.18 1wfm s GLY 43 Ca 0.00 -3.76 -0.10 0.00 0.00 0.00 0.00 44.72 40.86 1wfm s GLY 43 CO 0.00 1.20 0.21 0.00 0.00 0.00 0.00 173.10 174.51 1wfm s ASP 45 N -1.86 7.46 0.31 0.00 1.01 -1.26 -4.02 116.67 118.31 1wfm s ASP 45 Ca -0.08 2.06 0.09 0.00 0.71 0.00 0.00 52.55 55.33 1wfm s ASP 45 Cb -0.03 -2.61 -0.06 0.00 1.01 0.00 0.00 42.92 41.23 1wfm s ASP 45 CO -0.02 -0.01 -0.11 0.00 0.21 0.00 0.00 175.17 175.23 1wfm s TYR 47 N -2.68 -0.36 0.09 0.00 -0.85 -1.19 -0.11 117.35 112.24 1wfm s TYR 47 Ca 0.31 0.29 -0.14 0.00 -0.52 0.00 0.00 57.07 57.01 1wfm s TYR 47 Cb 0.01 0.52 -0.06 0.00 0.38 0.00 0.00 41.96 42.81 1wfm s TYR 47 CO 0.15 -0.52 0.48 0.08 -1.52 0.00 0.00 175.55 174.21 1wfm s VAL 48 N -2.83 4.95 -0.04 -3.49 1.01 -1.26 -3.32 120.40 115.41 1wfm s VAL 48 Ca 0.04 0.78 0.00 0.00 0.00 0.00 0.00 61.98 62.80 1wfm s VAL 48 Cb -0.01 -3.72 0.02 0.00 0.00 0.00 0.00 36.38 32.67 1wfm s VAL 48 CO -0.07 0.37 -0.02 -1.58 0.00 0.00 0.00 175.10 173.80 1wfm s GLN 49 N -1.65 0.57 0.04 2.72 0.74 0.12 -0.85 119.66 121.36 1wfm s GLN 49 Ca 0.32 0.01 0.07 0.00 0.05 0.00 0.00 55.36 55.80 1wfm s GLN 49 Cb -0.16 -0.71 -0.03 0.00 1.10 0.00 0.00 33.01 33.21 1wfm s GLN 49 CO 0.18 -0.14 -0.16 0.20 -0.55 0.00 0.00 175.29 174.81 1wfm s GLY 50 N 1.14 1.61 0.02 2.59 0.00 0.53 0.19 107.32 113.39 1wfm s GLY 50 Ca -0.08 -1.18 -0.01 0.00 0.00 0.00 0.00 44.72 43.46 1wfm s GLY 50 CO -0.01 -1.07 -0.02 -0.45 0.00 0.00 0.00 173.10 171.55 1wfm s SER 51 N -1.48 0.25 0.06 1.64 0.15 0.26 0.63 113.70 115.20 1wfm s SER 51 Ca 0.15 -0.53 -0.00 0.00 0.70 0.00 0.00 55.95 56.27 1wfm s SER 51 Cb -0.11 0.12 -0.04 0.00 -1.71 0.00 0.00 66.02 64.28 1wfm s SER 51 CO 0.06 -0.34 -0.04 -0.69 1.20 0.00 0.00 173.24 173.43 1wfm s VAL 52 N -1.73 0.31 -0.14 4.45 1.01 0.11 0.12 120.40 124.54 1wfm s VAL 52 Ca -0.13 -1.79 -0.04 0.00 0.00 0.00 0.00 61.98 60.01 1wfm s VAL 52 Cb -0.08 -1.50 0.05 0.00 0.00 0.00 0.00 36.38 34.86 1wfm s VAL 52 CO -0.02 -0.95 0.08 0.00 0.00 0.00 0.00 175.10 174.21 1wfm s ALA 53 N -3.74 0.43 0.51 5.51 0.00 -0.90 -1.52 121.76 122.06 1wfm s ALA 53 Ca 0.07 -0.21 0.05 0.00 0.00 0.00 0.00 51.96 51.87 1wfm s ALA 53 Cb 0.07 -0.93 0.01 0.00 0.00 0.00 0.00 23.12 22.26 1wfm s ALA 53 CO -0.09 -0.98 0.28 0.54 0.00 0.00 0.00 175.76 175.51 1wfm s ASN 54 N 2.12 4.50 0.00 0.00 2.20 -0.52 -3.01 114.94 120.22 1wfm s ASN 54 Ca 0.03 -1.31 0.23 0.00 -0.94 0.00 0.00 52.86 50.87 1wfm s ASN 54 Cb -0.15 0.29 1.31 0.00 -2.00 0.00 0.00 41.25 40.70 1wfm s ASN 54 CO -0.07 -0.96 1.77 0.54 -2.94 0.00 0.00 177.10 175.44 1wfm n ARG 55 N -1.57 0.57 -0.09 3.55 1.74 -1.26 -2.49 116.66 117.11 1wfm n ARG 55 Ca -0.06 0.03 -0.09 0.00 -0.77 0.00 0.00 57.85 56.97 1wfm n ARG 55 Cb 0.65 -1.50 -0.16 0.00 -1.02 0.00 0.00 32.46 30.43 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 -1.12 1.32 0.00 0.55 -2.24 -1.26 -5.09 114.28 106.44 1wfm n THR 56 Ca 0.15 -0.84 0.00 0.00 -2.27 0.00 0.00 64.05 61.09 1wfm n THR 56 Cb 0.12 -0.44 0.00 0.00 -2.10 0.00 0.00 70.33 67.91 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 1.72 -0.43 3.52 3.38 0.00 -1.04 -5.16 105.19 107.19 1wfm n GLY 57 Ca -0.31 0.24 -0.17 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.62 0.13 1.61 1.04 -1.26 -1.44 113.70 109.15 1wfm s SER 58 Ca 0.00 0.64 0.04 0.00 0.48 0.00 0.00 55.95 57.11 1wfm s SER 58 Cb 0.00 0.52 -0.04 0.00 0.10 0.00 0.00 66.02 66.60 1wfm s SER 58 CO 0.00 -0.60 -0.10 0.68 0.98 0.00 0.00 173.24 174.20 1wfm s VAL 59 N -1.35 1.07 0.12 5.02 -7.23 -0.57 -4.98 120.40 112.48 1wfm s VAL 59 Ca -0.09 -1.98 -0.08 0.00 -1.81 0.00 0.00 61.98 58.02 1wfm s VAL 59 Cb -0.00 -1.75 -0.01 0.00 0.56 0.00 0.00 36.38 35.18 1wfm s VAL 59 CO 0.08 -0.74 0.21 -1.61 -0.31 0.00 0.00 175.10 172.74 1wfm s GLU 60 N -3.61 0.96 0.04 4.82 2.02 -1.26 0.06 118.70 121.73 1wfm s GLU 60 Ca 0.14 -1.07 -0.28 0.00 0.02 0.00 0.00 54.97 53.78 1wfm s GLU 60 Cb 0.02 0.35 0.09 0.00 0.10 0.00 0.00 34.13 34.69 1wfm s GLU 60 CO -0.00 -0.32 1.01 0.00 0.02 0.00 0.00 175.26 175.96 1wfm s ALA 61 N -3.91 -1.84 0.28 5.21 0.00 0.20 -4.91 121.76 116.79 1wfm s ALA 61 Ca 0.11 0.64 -0.21 0.00 0.00 0.00 0.00 51.96 52.50 1wfm s ALA 61 Cb 0.04 0.45 0.03 0.00 0.00 0.00 0.00 23.12 23.64 1wfm s ALA 61 CO -0.06 -0.89 0.74 1.14 0.00 0.00 0.00 175.76 176.69 1wfm s GLN 62 N -3.02 1.78 0.32 0.00 -2.07 -1.26 0.20 119.66 115.61 1wfm s GLN 62 Ca 0.10 -1.00 0.05 0.00 -1.82 0.00 0.00 55.36 52.69 1wfm s GLN 62 Cb -0.00 0.60 0.05 0.00 -1.09 0.00 0.00 33.01 32.57 1wfm s GLN 62 CO -0.03 -0.82 0.44 0.25 -1.32 0.00 0.00 175.29 173.82 1wfm n THR 63 N -0.47 0.00 -2.81 3.63 -2.24 -0.03 -4.87 114.28 107.50 1wfm n THR 63 Ca -0.04 -1.01 -0.40 0.00 -2.27 0.00 0.00 64.05 60.33 1wfm n THR 63 Cb 0.59 -0.79 -0.06 0.00 -2.10 0.00 0.00 70.33 67.97 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 -2.45 3.36 0.29 6.98 0.00 -1.26 -4.68 121.76 124.01 1wfm s ALA 64 Ca 0.33 0.55 -0.29 0.00 0.00 0.00 0.00 51.96 52.55 1wfm s ALA 64 Cb -0.03 -3.15 -0.13 0.00 0.00 0.00 0.00 23.12 19.81 1wfm s ALA 64 CO 0.21 0.22 1.29 1.28 0.00 0.00 0.00 175.76 178.75 1wfm n LEU 65 N 1.60 3.08 -4.33 0.00 4.32 -1.26 -4.79 117.00 115.61 1wfm n LEU 65 Ca -0.03 1.18 -0.17 0.00 -0.02 0.00 0.00 56.01 56.97 1wfm n LEU 65 Cb 0.48 -1.43 -0.10 0.00 -1.62 0.00 0.00 43.42 40.74 1wfm n LEU 65 CO 0.49 -0.64 -0.29 -0.54 -1.22 0.00 0.00 177.39 175.19 1wfm s LYS 66 N -1.28 1.39 0.03 3.23 -0.14 0.84 -4.94 119.74 118.87 1wfm s LYS 66 Ca 0.61 -1.73 -0.30 0.00 -1.36 0.00 0.00 55.97 53.18 1wfm s LYS 66 Cb -0.62 -0.45 -0.04 0.00 -1.68 0.00 0.00 37.83 35.03 1wfm s LYS 66 CO 0.57 -0.20 1.05 0.21 -0.76 0.00 0.00 175.35 176.22 1wfm s LYS 67 N -3.95 4.52 0.11 1.68 2.47 -1.26 -1.58 119.74 121.73 1wfm s LYS 67 Ca 0.33 1.54 -0.31 0.00 -1.56 0.00 0.00 55.97 55.98 1wfm s LYS 67 Cb 0.07 -3.41 -0.09 0.00 -1.46 0.00 0.00 37.83 32.94 1wfm s LYS 67 CO 0.11 -0.11 1.59 0.50 0.16 0.00 0.00 175.35 177.61 1wfm s ARG 68 N 0.95 4.22 0.30 4.03 3.00 -1.26 -4.83 118.95 125.36 1wfm s ARG 68 Ca 0.54 2.31 -0.03 0.00 -1.00 0.00 0.00 55.73 57.55 1wfm s ARG 68 Cb -0.24 -3.40 -0.01 0.00 0.00 0.00 0.00 34.95 31.29 1wfm s ARG 68 CO 0.29 -0.66 0.39 -0.65 0.00 0.00 0.00 175.30 174.66 1wfm s GLN 69 N 1.95 1.69 0.26 5.12 -1.52 -1.26 -5.01 119.66 120.89 1wfm s GLN 69 Ca 0.71 -1.67 0.23 0.00 -1.95 0.00 0.00 55.36 52.69 1wfm s GLN 69 Cb -0.41 0.40 0.99 0.00 -0.22 0.00 0.00 33.01 33.78 1wfm s GLN 69 CO 0.31 -0.67 1.71 1.28 -0.25 0.00 0.00 175.29 177.67 1wfm n LEU 70 N -0.48 0.67 -3.03 2.90 7.99 -1.26 -4.21 117.00 119.58 1wfm n LEU 70 Ca 0.01 0.67 0.00 0.00 -0.01 0.00 0.00 56.01 56.69 1wfm n LEU 70 Cb 0.63 -0.59 -0.00 0.00 -0.11 0.00 0.00 43.42 43.34 1wfm n LEU 70 CO 0.29 -0.59 0.18 -2.28 -1.51 0.00 0.00 177.39 173.48 1wfm s HIS 71 N -3.33 -1.41 0.18 -1.77 2.46 -1.26 -4.31 115.29 105.84 1wfm s HIS 71 Ca 0.04 0.06 -0.06 0.00 0.47 0.00 0.00 55.06 55.56 1wfm s HIS 71 Cb 0.09 0.26 -0.06 0.00 -0.13 0.00 0.00 32.58 32.75 1wfm s HIS 71 CO 0.38 -0.99 0.44 0.99 -2.47 0.00 0.00 174.74 173.08 1wfm s THR 72 N 1.65 5.10 0.07 0.89 2.01 -1.22 -4.99 115.64 119.14 1wfm s THR 72 Ca 0.19 0.13 0.01 0.00 0.31 0.00 0.00 61.69 62.33 1wfm s THR 72 Cb -0.01 -3.64 -0.03 0.00 0.01 0.00 0.00 72.50 68.83 1wfm s THR 72 CO -0.08 -0.03 -0.06 0.42 -0.69 0.00 0.00 174.62 174.18 1wfm s THR 73 N -1.74 0.53 0.46 -0.82 -4.23 -1.26 -2.75 115.64 105.84 1wfm s THR 73 Ca 0.43 -1.54 0.04 0.00 -1.18 0.00 0.00 61.69 59.44 1wfm s THR 73 Cb -0.12 -1.17 -0.04 0.00 1.34 0.00 0.00 72.50 72.51 1wfm s THR 73 CO 0.24 -0.69 0.03 0.26 -0.54 0.00 0.00 174.62 173.92 1wfm s TRP 74 N -2.70 2.18 -0.14 3.99 0.51 -0.98 -5.02 118.94 116.79 1wfm s TRP 74 Ca 0.01 -0.81 0.08 0.00 -2.12 0.00 0.00 56.10 53.27 1wfm s TRP 74 Cb -0.01 -1.71 -0.14 0.00 -0.81 0.00 0.00 33.47 30.79 1wfm s TRP 74 CO -0.03 0.31 -0.02 -1.91 -0.51 0.00 0.00 176.95 174.78 1wfm n GLU 75 N -1.15 1.42 -3.85 4.98 2.13 -1.26 -4.72 120.64 118.19 1wfm n GLU 75 Ca -0.12 0.03 -0.22 0.00 0.66 0.00 0.00 57.16 57.51 1wfm n GLU 75 Cb 0.67 -1.33 -0.05 0.00 0.27 0.00 0.00 31.44 31.00 1wfm n GLU 75 CO 0.00 0.00 0.00 -1.83 -0.41 0.00 0.00 177.13 174.89 1wfm s GLU 76 N -2.32 2.51 0.00 5.31 -1.05 -1.26 -4.95 118.70 116.94 1wfm s GLU 76 Ca -0.11 -1.51 0.00 0.00 -0.15 0.00 0.00 54.97 53.20 1wfm s GLU 76 Cb 0.04 -2.30 0.00 0.00 -0.44 0.00 0.00 34.13 31.43 1wfm s GLU 76 CO 0.48 -0.02 0.00 0.41 0.95 0.00 0.00 175.26 177.08 1wfm n GLY 77 N -1.35 5.54 3.79 -3.83 0.00 -1.26 -4.71 105.19 103.38 1wfm n GLY 77 Ca -0.00 -2.09 -0.24 0.00 0.00 0.00 0.00 46.02 43.69 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 3.74 -0.03 0.99 1.43 -0.97 -4.76 118.68 119.07 1wfm s LEU 78 Ca 0.00 -0.25 -0.01 0.00 -1.03 0.00 0.00 54.13 52.84 1wfm s LEU 78 Cb 0.00 -2.30 0.03 0.00 0.03 0.00 0.00 46.19 43.95 1wfm s LEU 78 CO 0.00 0.01 0.06 -0.69 0.23 0.00 0.00 176.35 175.96 1wfm s VAL 79 N -1.99 -0.05 -0.02 -1.59 1.01 -1.26 -1.61 120.40 114.88 1wfm s VAL 79 Ca 0.32 0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.49 1wfm s VAL 79 Cb -0.09 -0.12 0.02 0.00 0.00 0.00 0.00 36.38 36.19 1wfm s VAL 79 CO 0.24 0.08 0.01 -0.76 0.00 0.00 0.00 175.10 174.66 1wfm s LEU 80 N 1.00 1.27 -0.14 3.92 1.43 0.43 -4.64 118.68 121.95 1wfm s LEU 80 Ca -0.08 0.00 -0.29 0.00 -1.03 0.00 0.00 54.13 52.73 1wfm s LEU 80 Cb -0.11 -0.14 -0.02 0.00 0.03 0.00 0.00 46.19 45.95 1wfm s LEU 80 CO -0.04 -0.09 1.26 -2.16 0.23 0.00 0.00 176.35 175.56 1wfm s PRO 81 N 0.86 4.25 -0.16 1.29 0.04 -1.26 0.28 135.00 140.30 1wfm s PRO 81 Ca -0.08 1.68 -0.11 0.00 0.04 0.00 0.00 61.00 62.54 1wfm s PRO 81 Cb -0.11 -3.73 0.05 0.00 0.04 0.00 0.00 34.50 30.75 1wfm s PRO 81 CO -0.02 -0.66 0.40 -1.17 0.04 0.00 0.00 177.00 175.59 1wfm s LEU 82 N 3.25 0.13 0.48 -3.56 1.98 0.24 -4.86 118.68 116.34 1wfm s LEU 82 Ca 0.56 0.85 -0.19 0.00 -2.89 0.00 0.00 54.13 52.46 1wfm s LEU 82 Cb -0.23 1.34 -0.09 0.00 0.66 0.00 0.00 46.19 47.87 1wfm s LEU 82 CO 0.17 -0.17 0.97 0.00 -1.89 0.00 0.00 176.35 175.43 1wfm s ALA 83 N 0.95 3.04 0.12 5.97 0.00 -1.26 -3.61 121.76 126.97 1wfm s ALA 83 Ca -0.06 0.31 0.31 0.00 0.00 0.00 0.00 51.96 52.52 1wfm s ALA 83 Cb -0.06 -3.14 1.26 0.00 0.00 0.00 0.00 23.12 21.17 1wfm s ALA 83 CO -0.08 -0.08 1.95 1.49 0.00 0.00 0.00 175.76 179.04 1wfm h GLU 84 N 1.40 0.00 -0.00 0.00 4.81 -1.90 -1.52 114.58 117.36 1wfm h GLU 84 Ca -0.48 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1wfm h GLU 84 Cb 1.18 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.56 1wfm h GLU 84 CO 0.61 0.06 -0.04 -0.85 -0.73 0.00 0.00 179.01 178.06 1wfm n GLU 85 N -3.18 0.80 0.00 1.92 0.28 -1.26 -3.07 120.64 116.12 1wfm n GLU 85 Ca 0.00 -0.17 0.01 0.00 -0.16 0.00 0.00 57.16 56.84 1wfm n GLU 85 Cb 0.33 -1.50 -0.00 0.00 1.43 0.00 0.00 31.44 31.70 1wfm n GLU 85 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1wfm n GLU 86 N -0.95 4.38 -0.32 3.44 1.02 -0.64 -4.66 120.64 122.91 1wfm n GLU 86 Ca 0.18 -0.18 0.03 0.00 -0.02 0.00 0.00 57.16 57.17 1wfm n GLU 86 Cb 0.23 -0.71 0.10 0.00 -0.02 0.00 0.00 31.44 31.04 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 0.10 -0.94 -0.69 -4.62 3.38 -1.30 2.10 115.31 113.35 1wfm h LEU 87 Ca 0.00 0.27 -0.04 0.00 0.09 0.00 0.00 57.88 58.20 1wfm h LEU 87 Cb 0.05 0.59 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1wfm h LEU 87 CO 0.00 -0.30 -0.18 1.55 0.09 0.00 0.00 178.44 179.60 1wfm h PRO 88 N -0.01 0.00 -0.62 1.13 0.13 -1.81 -2.92 132.00 127.91 1wfm h PRO 88 Ca 0.41 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 65.35 1wfm h PRO 88 Cb 0.64 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.66 1wfm h PRO 88 CO -0.92 0.18 0.19 0.25 -0.23 0.00 0.00 178.00 177.48 1wfm n THR 89 N -3.23 2.79 -3.95 1.56 -2.24 0.55 -4.89 114.28 104.88 1wfm n THR 89 Ca 0.02 -1.84 -0.10 0.00 -2.27 0.00 0.00 64.05 59.86 1wfm n THR 89 Cb 0.49 -0.34 -0.10 0.00 -2.10 0.00 0.00 70.33 68.28 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 -3.02 -0.01 0.05 6.98 0.00 0.58 -4.07 121.76 122.28 1wfm s ALA 90 Ca 0.52 -0.49 0.02 0.00 0.00 0.00 0.00 51.96 52.01 1wfm s ALA 90 Cb 0.42 0.16 -0.03 0.00 0.00 0.00 0.00 23.12 23.67 1wfm s ALA 90 CO 0.11 -0.21 -0.07 0.99 0.00 0.00 0.00 175.76 176.59 1wfm s THR 91 N -1.72 0.49 0.07 0.00 2.01 -1.17 -3.90 115.64 111.42 1wfm s THR 91 Ca -0.13 -1.28 0.04 0.00 0.31 0.00 0.00 61.69 60.63 1wfm s THR 91 Cb -0.07 -0.84 -0.04 0.00 0.01 0.00 0.00 72.50 71.55 1wfm s THR 91 CO -0.01 -0.54 -0.01 -0.22 -0.69 0.00 0.00 174.62 173.14 1wfm s LEU 92 N -1.96 3.41 -0.07 4.42 2.96 -0.98 -2.11 118.68 124.35 1wfm s LEU 92 Ca -0.05 -0.16 -0.03 0.00 -0.22 0.00 0.00 54.13 53.67 1wfm s LEU 92 Cb -0.06 -2.10 0.04 0.00 0.50 0.00 0.00 46.19 44.58 1wfm s LEU 92 CO -0.02 0.21 0.14 -0.89 -1.32 0.00 0.00 176.35 174.47 1wfm s THR 93 N -1.23 -0.22 0.11 3.68 2.01 0.33 -0.72 115.64 119.60 1wfm s THR 93 Ca 0.23 0.36 -0.04 0.00 0.31 0.00 0.00 61.69 62.55 1wfm s THR 93 Cb -0.12 -0.26 -0.05 0.00 0.01 0.00 0.00 72.50 72.08 1wfm s THR 93 CO 0.15 0.15 0.33 -0.76 -0.69 0.00 0.00 174.62 173.81 1wfm s LEU 94 N 2.20 4.30 -0.12 4.42 1.02 0.53 0.89 118.68 131.91 1wfm s LEU 94 Ca 0.03 0.53 -0.08 0.00 0.02 0.00 0.00 54.13 54.62 1wfm s LEU 94 Cb -0.12 -3.17 0.04 0.00 0.02 0.00 0.00 46.19 42.96 1wfm s LEU 94 CO -0.05 0.10 0.30 0.42 0.02 0.00 0.00 176.35 177.14 1wfm s THR 95 N -1.59 -0.02 -0.49 5.49 -4.23 0.50 -0.87 115.64 114.43 1wfm s THR 95 Ca 0.38 0.08 -0.05 0.00 -1.18 0.00 0.00 61.69 60.92 1wfm s THR 95 Cb -0.12 -0.45 0.13 0.00 1.34 0.00 0.00 72.50 73.40 1wfm s THR 95 CO 0.24 0.03 0.32 -0.76 -0.54 0.00 0.00 174.62 173.92 1wfm s LEU 96 N 0.87 5.47 0.29 4.79 1.43 -0.35 0.14 118.68 131.31 1wfm s LEU 96 Ca -0.06 -2.17 -0.07 0.00 -1.03 0.00 0.00 54.13 50.79 1wfm s LEU 96 Cb -0.07 -1.91 -0.06 0.00 0.03 0.00 0.00 46.19 44.18 1wfm s LEU 96 CO -0.06 -0.56 0.58 -0.13 0.23 0.00 0.00 176.35 176.41 1wfm s ARG 97 N 0.95 3.71 -0.21 1.70 3.00 -1.21 0.84 118.95 127.73 1wfm s ARG 97 Ca 0.09 0.16 -0.03 0.00 0.00 0.00 0.00 55.73 55.96 1wfm s ARG 97 Cb -0.23 -2.61 -0.01 0.00 0.00 0.00 0.00 34.95 32.10 1wfm s ARG 97 CO -0.03 0.21 -0.07 0.95 0.00 0.00 0.00 175.30 176.36 1wfm s THR 98 N -2.03 3.20 -0.59 0.02 -4.23 -1.26 -3.20 115.64 107.54 1wfm s THR 98 Ca 0.46 -0.56 -0.29 0.00 -1.18 0.00 0.00 61.69 60.12 1wfm s THR 98 Cb -0.11 -2.43 -0.12 0.00 1.34 0.00 0.00 72.50 71.18 1wfm s THR 98 CO 0.27 0.45 2.44 0.00 -0.54 0.00 0.00 174.62 177.24 1wfm n ASP 100 N 13.13 2.09 0.08 0.00 8.00 -1.26 -4.12 116.55 134.46 1wfm n ASP 100 Ca 0.45 -2.58 -0.13 0.00 0.71 0.00 0.00 54.79 53.24 1wfm n ASP 100 Cb 0.34 0.50 -0.06 0.00 -0.02 0.00 0.00 41.12 41.88 1wfm n ASP 100 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 1wfm h ARG 101 N 0.00 -0.53 0.00 -1.24 2.43 -2.04 -3.37 114.38 109.63 1wfm h ARG 101 Ca -0.27 0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 58.88 1wfm h ARG 101 Cb 0.89 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.55 1wfm h ARG 101 CO 0.43 -0.35 -1.22 1.19 -1.51 0.00 0.00 179.97 178.51 1wfm n PHE 102 N -5.44 0.00 -2.98 2.20 3.72 -1.26 -5.05 117.46 108.65 1wfm n PHE 102 Ca -0.06 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.22 1wfm n PHE 102 Cb 0.35 -0.15 0.06 0.00 -0.94 0.00 0.00 39.48 38.81 1wfm n PHE 102 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1wfm n SER 103 N -2.44 -2.96 -4.47 4.37 7.64 -1.26 -5.00 113.62 109.50 1wfm n SER 103 Ca -0.06 -0.47 -0.29 0.00 1.01 0.00 0.00 58.87 59.06 1wfm n SER 103 Cb 0.58 -3.92 0.20 0.00 -1.01 0.00 0.00 64.21 60.06 1wfm n SER 103 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1wfm s ARG 104 N -4.73 -0.12 -0.49 1.43 3.00 -1.26 -4.78 118.95 112.00 1wfm s ARG 104 Ca 0.09 0.37 -0.44 0.00 0.00 0.00 0.00 55.73 55.76 1wfm s ARG 104 Cb -0.01 -1.69 -0.19 0.00 0.00 0.00 0.00 34.95 33.06 1wfm s ARG 104 CO 0.54 -3.07 2.04 0.72 0.00 0.00 0.00 175.30 175.53 1wfm n HIS 105 N -4.39 1.31 0.18 -0.53 8.25 -1.26 -4.46 115.22 114.32 1wfm n HIS 105 Ca 0.07 0.81 0.00 0.00 -0.26 0.00 0.00 57.72 58.34 1wfm n HIS 105 Cb 0.58 -2.29 0.00 0.00 1.12 0.00 0.00 29.99 29.39 1wfm n HIS 105 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1wfm n SER 106 N 6.94 -2.95 -1.68 0.41 7.64 -1.26 -4.80 113.62 117.91 1wfm n SER 106 Ca 0.49 0.68 0.00 0.00 1.01 0.00 0.00 58.87 61.05 1wfm n SER 106 Cb -0.03 2.86 0.00 0.00 -1.01 0.00 0.00 64.21 66.03 1wfm n SER 106 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1wfm n VAL 107 N -3.25 -8.78 0.93 0.44 0.31 -1.26 -4.24 118.33 102.47 1wfm n VAL 107 Ca 0.00 2.57 0.14 0.00 -0.01 0.00 0.00 64.34 67.03 1wfm n VAL 107 Cb 0.00 -4.13 0.52 0.00 -0.91 0.00 0.00 33.84 29.32 1wfm n VAL 107 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1wfm n ALA 108 N 1.05 2.52 0.00 3.52 0.00 0.25 -4.11 120.51 123.74 1wfm n ALA 108 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1wfm n ALA 108 Cb 0.00 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.04 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 1.47 1.65 2.99 0.00 0.00 -1.23 -4.60 105.19 105.47 1wfm n GLY 109 Ca 0.06 -0.23 -0.25 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.70 1.64 -0.26 1.61 2.02 -1.23 -1.22 118.70 119.56 1wfm s GLU 110 Ca 0.00 -0.36 0.00 0.00 0.02 0.00 0.00 54.97 54.63 1wfm s GLU 110 Cb 0.00 -1.45 0.07 0.00 0.10 0.00 0.00 34.13 32.86 1wfm s GLU 110 CO 0.00 -0.06 0.01 -1.17 0.02 0.00 0.00 175.26 174.06 1wfm s LEU 111 N 0.96 2.48 -0.07 1.80 1.98 -0.05 0.20 118.68 125.97 1wfm s LEU 111 Ca -0.09 -1.34 -0.11 0.00 -2.89 0.00 0.00 54.13 49.70 1wfm s LEU 111 Cb -0.15 -1.04 -0.05 0.00 0.66 0.00 0.00 46.19 45.61 1wfm s LEU 111 CO 0.00 -0.31 0.27 -0.60 -1.89 0.00 0.00 176.35 173.82 1wfm s ARG 112 N 1.48 3.75 0.37 1.98 3.52 -1.26 0.20 118.95 128.99 1wfm s ARG 112 Ca 0.01 0.12 0.04 0.00 -0.13 0.00 0.00 55.73 55.77 1wfm s ARG 112 Cb -0.18 -3.23 -0.04 0.00 -1.56 0.00 0.00 34.95 29.93 1wfm s ARG 112 CO -0.12 0.67 0.08 -0.51 -0.81 0.00 0.00 175.30 174.62 1wfm s LEU 113 N -0.86 2.10 -0.05 -0.88 2.01 0.10 -4.97 118.68 116.13 1wfm s LEU 113 Ca 0.19 -1.52 0.06 0.00 0.01 0.00 0.00 54.13 52.87 1wfm s LEU 113 Cb -0.14 -0.28 -0.01 0.00 0.01 0.00 0.00 46.19 45.76 1wfm s LEU 113 CO 0.08 -0.76 -0.24 -0.83 1.01 0.00 0.00 176.35 175.61 1wfm s GLY 114 N -3.56 1.23 0.00 -3.19 0.00 -1.26 -2.32 107.32 98.22 1wfm s GLY 114 Ca 0.29 -1.01 0.19 0.00 0.00 0.00 0.00 44.72 44.19 1wfm s GLY 114 CO 0.14 -0.68 1.44 1.04 0.00 0.00 0.00 173.10 175.04 1wfm n LEU 115 N 2.83 3.12 0.07 0.66 4.77 -1.25 -3.78 117.00 123.42 1wfm n LEU 115 Ca -0.17 -1.53 0.11 0.00 -0.03 0.00 0.00 56.01 54.40 1wfm n LEU 115 Cb 0.52 -0.37 -0.01 0.00 -2.33 0.00 0.00 43.42 41.24 1wfm n LEU 115 CO 0.25 0.76 -0.08 -0.67 -1.33 0.00 0.00 177.39 176.32 1wfm n ASP 116 N 1.21 0.65 -1.25 -1.43 -0.08 -1.23 -4.33 116.55 110.09 1wfm n ASP 116 Ca 0.20 0.15 0.00 0.00 -1.51 0.00 0.00 54.79 53.63 1wfm n ASP 116 Cb 0.50 0.74 0.00 0.00 2.34 0.00 0.00 41.12 44.70 1wfm n ASP 116 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wfm n GLY 117 N 1.25 0.41 0.00 0.27 0.00 -1.25 -4.95 105.19 100.91 1wfm n GLY 117 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.04 0.00 -0.28 2.61 -1.04 -1.26 -4.90 114.28 108.36 1wfm n THR 118 Ca 0.00 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.13 1wfm n THR 118 Cb 0.42 0.00 0.38 0.00 -1.82 0.00 0.00 70.33 69.30 1wfm n THR 118 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1wfm h SER 119 N 0.00 0.66 -3.42 8.00 0.02 -1.97 -3.40 113.55 113.44 1wfm h SER 119 Ca 0.00 0.04 -0.24 0.00 -0.84 0.00 0.00 61.79 60.75 1wfm h SER 119 Cb 0.00 -0.09 -0.32 0.00 0.14 0.00 0.00 62.40 62.14 1wfm h SER 119 CO 0.00 0.32 -0.60 0.54 -1.14 0.00 0.00 176.83 175.96 1wfm s VAL 120 N -5.69 -0.05 0.93 2.27 0.11 -1.26 -4.99 120.40 111.72 1wfm s VAL 120 Ca -0.10 0.18 -0.13 0.00 -2.93 0.00 0.00 61.98 59.01 1wfm s VAL 120 Cb 0.22 -0.24 0.15 0.00 -1.53 0.00 0.00 36.38 34.98 1wfm s VAL 120 CO 0.79 0.07 1.15 -2.16 -3.33 0.00 0.00 175.10 171.62 1wfm s PRO 121 N 1.19 0.99 0.16 1.54 0.04 -1.26 -4.35 135.00 133.31 1wfm s PRO 121 Ca -0.09 0.23 0.01 0.00 0.04 0.00 0.00 61.00 61.19 1wfm s PRO 121 Cb -0.12 -1.83 -0.04 0.00 0.04 0.00 0.00 34.50 32.56 1wfm s PRO 121 CO -0.06 -2.29 0.32 -0.51 0.04 0.00 0.00 177.00 174.50 1wfm s LEU 122 N -6.07 4.30 -1.47 -3.56 1.43 -1.26 -4.19 118.68 107.86 1wfm s LEU 122 Ca 0.65 0.27 0.00 0.00 -1.03 0.00 0.00 54.13 54.02 1wfm s LEU 122 Cb -0.14 -3.02 0.00 0.00 0.03 0.00 0.00 46.19 43.06 1wfm s LEU 122 CO 0.53 0.03 0.00 0.61 0.23 0.00 0.00 176.35 177.75 1wfm n GLY 123 N -0.50 1.31 2.85 -3.19 0.00 0.50 -4.91 105.19 101.25 1wfm n GLY 123 Ca -0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.14 1.92 0.27 4.61 0.00 -1.26 -4.99 121.76 120.16 1wfm s ALA 124 Ca 0.00 -1.75 -0.30 0.00 0.00 0.00 0.00 51.96 49.91 1wfm s ALA 124 Cb 0.00 -1.64 -0.10 0.00 0.00 0.00 0.00 23.12 21.38 1wfm s ALA 124 CO 0.00 -1.54 1.45 0.00 0.00 0.00 0.00 175.76 175.67 1wfm s ALA 125 N 1.41 3.63 0.02 0.00 0.00 -1.26 -4.47 121.76 121.09 1wfm s ALA 125 Ca 0.06 1.37 0.06 0.00 0.00 0.00 0.00 51.96 53.45 1wfm s ALA 125 Cb -0.18 -3.56 -0.02 0.00 0.00 0.00 0.00 23.12 19.36 1wfm s ALA 125 CO -0.16 -0.78 -0.18 -0.65 0.00 0.00 0.00 175.76 173.99 1wfm s GLN 126 N -0.60 1.26 -1.27 0.00 -1.52 -0.82 -4.99 119.66 111.73 1wfm s GLN 126 Ca 0.59 -0.77 -0.05 0.00 -1.95 0.00 0.00 55.36 53.18 1wfm s GLN 126 Cb -0.43 -1.29 0.16 0.00 -0.22 0.00 0.00 33.01 31.24 1wfm s GLN 126 CO 0.46 0.34 2.21 0.91 -0.25 0.00 0.00 175.29 178.95 1wfm n TRP 127 N 2.16 2.65 -1.72 0.91 7.02 -1.26 -3.37 117.44 123.84 1wfm n TRP 127 Ca -0.16 -2.77 -0.35 0.00 -1.02 0.00 0.00 57.50 53.20 1wfm n TRP 127 Cb 0.54 -1.73 0.06 0.00 -2.42 0.00 0.00 31.31 27.76 1wfm n TRP 127 CO 0.00 0.00 0.00 0.20 -2.02 0.00 0.00 177.69 175.87 1wfm s GLY 128 N 0.09 2.52 -0.19 6.99 0.00 -1.18 -4.71 107.32 110.85 1wfm s GLY 128 Ca 0.49 0.92 -0.16 0.00 0.00 0.00 0.00 44.72 45.97 1wfm s GLY 128 CO -0.08 1.32 0.40 -0.54 0.00 0.00 0.00 173.10 174.20 1wfm s GLU 129 N -3.66 4.21 0.30 2.90 2.02 -1.26 -0.76 118.70 122.44 1wfm s GLU 129 Ca 0.75 0.23 -0.29 0.00 0.02 0.00 0.00 54.97 55.68 1wfm s GLU 129 Cb -0.29 -3.51 -0.13 0.00 0.10 0.00 0.00 34.13 30.30 1wfm s GLU 129 CO 0.40 0.01 1.38 1.28 0.02 0.00 0.00 175.26 178.34 1wfm n LEU 130 N 4.29 3.55 -3.61 1.80 4.77 0.88 -4.82 117.00 123.86 1wfm n LEU 130 Ca -0.08 1.18 -0.41 0.00 -0.03 0.00 0.00 56.01 56.67 1wfm n LEU 130 Cb 0.51 -1.48 0.02 0.00 -2.33 0.00 0.00 43.42 40.14 1wfm n LEU 130 CO 0.40 -0.38 1.51 0.29 -1.33 0.00 0.00 177.39 177.88 1wfm n LYS 131 N 1.26 5.34 -1.12 3.23 4.76 0.53 -4.57 118.16 127.58 1wfm n LYS 131 Ca 0.07 -4.56 -0.35 0.00 -2.87 0.00 0.00 58.31 50.60 1wfm n LYS 131 Cb 0.35 -2.48 0.01 0.00 -1.84 0.00 0.00 35.03 31.07 1wfm n LYS 131 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1wfm n THR 132 N 0.05 0.17 -2.01 -0.18 -2.24 -1.26 -3.54 114.28 105.27 1wfm n THR 132 Ca 0.48 -0.44 0.11 0.00 -2.27 0.00 0.00 64.05 61.93 1wfm n THR 132 Cb 0.26 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.46 1wfm n THR 132 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1wfm n SER 133 N 2.18 -6.30 -2.14 3.42 3.41 -1.26 -4.86 113.62 108.08 1wfm n SER 133 Ca 0.08 0.88 -0.09 0.00 -0.26 0.00 0.00 58.87 59.48 1wfm n SER 133 Cb 0.40 -2.55 -0.03 0.00 -0.26 0.00 0.00 64.21 61.77 1wfm n SER 133 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wfm n GLY 134 N -2.47 2.88 0.12 5.00 0.00 -1.26 -4.81 105.19 104.65 1wfm n GLY 134 Ca 0.01 -1.61 -0.09 0.00 0.00 0.00 0.00 46.02 44.33 1wfm n GLY 134 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wfm h PRO 135 N 0.00 -0.19 0.67 1.61 0.13 -1.97 -3.36 132.00 128.89 1wfm h PRO 135 Ca -0.14 0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 64.97 1wfm h PRO 135 Cb 0.66 0.04 0.01 0.00 0.13 0.00 0.00 31.00 31.83 1wfm h PRO 135 CO 0.20 0.21 -0.32 0.66 -0.23 0.00 0.00 178.00 178.51 1wfm h SER 136 N -0.94 -0.76 -4.24 1.44 4.64 -2.05 -3.49 113.55 108.15 1wfm h SER 136 Ca -0.02 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1wfm h SER 136 Cb 0.48 0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 1wfm h SER 136 CO 0.03 -0.46 -0.83 -0.24 -0.87 0.00 0.00 176.83 174.46 1wfm n SER 137 N -5.43 -8.08 0.00 4.97 2.88 -1.26 -5.17 113.62 101.52 1wfm n SER 137 Ca -0.13 1.18 0.00 0.00 -1.33 0.00 0.00 58.87 58.60 1wfm n SER 137 Cb 0.38 -4.47 0.00 0.00 -0.75 0.00 0.00 64.21 59.37 1wfm n SER 137 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42